N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C23H31N5O — CID 20936842

IUPACN-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCN(CCC)CCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C23H31N5O/c1-4-12-26(13-5-2)16-11-24-22(29)21-18-25-28(20-10-8-9-19(3)17-20)23(21)27-14-6-7-15-27/h6-10,14-15,17-18H,4-5,11-13,16H2,1-3H3,(H,24,29)
InChIKeyVZPBWTPCLNFAAI-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.82
Rot. Bonds10

About N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936842) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936842
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCCN(CCC)CCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C23H31N5O/c1-4-12-26(13-5-2)16-11-24-22(29)21-18-25-28(20-10-8-9-19(3)17-20)23(21)27-14-6-7-15-27/h6-10,14-15,17-18H,4-5,11-13,16H2,1-3H3,(H,24,29)
InChIKeyVZPBWTPCLNFAAI-UHFFFAOYSA-N
XLogP3.82
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dipropylamino)ethyl]-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20914995
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936756
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-[3-[butyl(methyl)amino]propyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892610
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936812
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-butyl-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915300
1-(3,4-dimethylphenyl)-N-prop-2-enyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436188

Frequently Asked Questions

What is the IUPAC name of N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936842) is N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCCN(CCC)CCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1.
What is the InChIKey of N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is VZPBWTPCLNFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-4-12-26(13-5-2)16-11-24-22(29)21-18-25-28(20-10-8-9-19(3)17-20)23(21)27-14-6-7-15-27/h6-10,14-15,17-18H,4-5,11-13,16H2,1-3H3,(H,24,29).
What are the key properties of N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).