N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide

C23H31N5O5 — CID 129184034

IUPACN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide
SMILESC=Cc1c(C(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)nn(CC(O)CO)c1/C=C\C
InChIInChI=1S/C23H31N5O5/c1-4-7-19-17(5-2)21(27-28(19)13-16(30)14-29)23(32)26-15-8-9-20(33-3)18(12-15)22(31)25-11-6-10-24/h4-5,7-9,12,16,29-30H,2,6,10-11,13-14,24H2,1,3H3,(H,25,31)(H,26,32)/b7-4-
InChIKeyNIQXADWIUUYWKQ-DAXSKMNVSA-N
MW457.53 g/mol
LogP1.25
Rot. Bonds12

About N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide (PubChem CID 129184034) has the molecular formula C23H31N5O5 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide
PubChem CID129184034
Molecular FormulaC23H31N5O5
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC NameN-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide
SMILESC=Cc1c(C(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)nn(CC(O)CO)c1/C=C\C
InChIInChI=1S/C23H31N5O5/c1-4-7-19-17(5-2)21(27-28(19)13-16(30)14-29)23(32)26-15-8-9-20(33-3)18(12-15)22(31)25-11-6-10-24/h4-5,7-9,12,16,29-30H,2,6,10-11,13-14,24H2,1,3H3,(H,25,31)(H,26,32)/b7-4-
InChIKeyNIQXADWIUUYWKQ-DAXSKMNVSA-N
XLogP1.25
TPSA151.73 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-(3-aminopropyl)-5-(1,3-benzodioxol-5-ylcarbamoylamino)-2-methoxybenzamide
CID 66748308
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-2-methyl-1H-indole-3-carboxamide
CID 66728085
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(2,5-dimethylthiophen-3-yl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727986
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-3-(3-chlorophenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 66727961
2-methoxy-N-(3-propan-2-yloxypropyl)-5-sulfamoylbenzamide
CID 9292499
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
CID 140608368
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide (CID 129184034) is N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide is C=Cc1c(C(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)nn(CC(O)CO)c1/C=C\C.
What is the InChIKey of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide?
The InChIKey is NIQXADWIUUYWKQ-DAXSKMNVSA-N. The full InChI is InChI=1S/C23H31N5O5/c1-4-7-19-17(5-2)21(27-28(19)13-16(30)14-29)23(32)26-15-8-9-20(33-3)18(12-15)22(31)25-11-6-10-24/h4-5,7-9,12,16,29-30H,2,6,10-11,13-14,24H2,1,3H3,(H,25,31)(H,26,32)/b7-4-.
What are the key properties of N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide?
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 1.25, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-1-(2,3-dihydroxypropyl)-4-ethenyl-5-[(Z)-prop-1-enyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129184034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).