N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

C17H22N4O2 — CID 87045448

IUPACN-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(C(=O)NCC)cc2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-3-5-14-10-15(21-20-14)17(23)19-11-12-6-8-13(9-7-12)16(22)18-4-2/h6-10H,3-5,11H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyCTJHCPGDLOQYFX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.04
Rot. Bonds7

About N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 87045448) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID87045448
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2ccc(C(=O)NCC)cc2)n[nH]1
InChIInChI=1S/C17H22N4O2/c1-3-5-14-10-15(21-20-14)17(23)19-11-12-6-8-13(9-7-12)16(22)18-4-2/h6-10H,3-5,11H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyCTJHCPGDLOQYFX-UHFFFAOYSA-N
XLogP2.04
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-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-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 70751626
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
5-ethyl-N-[4-(ethylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 78901950
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 32535295
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N,5-bis[(4-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 155753629
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 87045448) is N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCc2ccc(C(=O)NCC)cc2)n[nH]1.
What is the InChIKey of N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is CTJHCPGDLOQYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-5-14-10-15(21-20-14)17(23)19-11-12-6-8-13(9-7-12)16(22)18-4-2/h6-10H,3-5,11H2,1-2H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87045448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).