N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide

C18H24N4O3 — CID 50973633

IUPACN-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(NC(=O)CCc2cn[nH]c2)ccc1OC
InChIInChI=1S/C18H24N4O3/c1-3-4-5-17(23)22-15-10-14(7-8-16(15)25-2)21-18(24)9-6-13-11-19-20-12-13/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,24)(H,22,23)
InChIKeyLRVHPBDRDFDNMG-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.12
Rot. Bonds9

About N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide

N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide (PubChem CID 50973633) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide
PubChem CID50973633
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cc(NC(=O)CCc2cn[nH]c2)ccc1OC
InChIInChI=1S/C18H24N4O3/c1-3-4-5-17(23)22-15-10-14(7-8-16(15)25-2)21-18(24)9-6-13-11-19-20-12-13/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,24)(H,22,23)
InChIKeyLRVHPBDRDFDNMG-UHFFFAOYSA-N
XLogP3.12
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-aminoacetyl)amino]-4-methoxyphenyl]pentanamide
CID 39185870
3-amino-N-[4-methoxy-3-(pentanoylamino)phenyl]-1H-pyrazole-5-carboxamide
CID 50949902
N-[2-methoxy-5-(1,2,2-tricyanoethenylamino)phenyl]pentanamide
CID 168607043
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(4-methoxy-3-pyridinyl)pentanamide
CID 60608647
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-[2-methoxy-5-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]pentanamide
CID 46999025
N-(5-acetamido-2-methoxyphenyl)-3-chloropropanamide
CID 43236542
N-(3-benzyl-4-methoxyphenyl)pentanamide
CID 18128166
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide?
The IUPAC name of N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide (CID 50973633) is N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide.
What is the SMILES notation for N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide?
The canonical SMILES for N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide is CCCCC(=O)Nc1cc(NC(=O)CCc2cn[nH]c2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide?
The InChIKey is LRVHPBDRDFDNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-4-5-17(23)22-15-10-14(7-8-16(15)25-2)21-18(24)9-6-13-11-19-20-12-13/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,24)(H,22,23).
What are the key properties of N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide?
N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide has a molecular weight of 344.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[3-(1H-pyrazol-4-yl)propanoylamino]phenyl]pentanamide is sourced from PubChem (CID 50973633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).