N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide

C16H21N3O2 — CID 35521519

IUPACN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
SMILESCCCCC(=O)Nc1cnn(Cc2cccc(OC)c2)c1
InChIInChI=1S/C16H21N3O2/c1-3-4-8-16(20)18-14-10-17-19(12-14)11-13-6-5-7-15(9-13)21-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,18,20)
InChIKeyGHWBKKXUTJVAIY-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.07
Rot. Bonds7

About N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide (PubChem CID 35521519) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
PubChem CID35521519
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide
SMILESCCCCC(=O)Nc1cnn(Cc2cccc(OC)c2)c1
InChIInChI=1S/C16H21N3O2/c1-3-4-8-16(20)18-14-10-17-19(12-14)11-13-6-5-7-15(9-13)21-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,18,20)
InChIKeyGHWBKKXUTJVAIY-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide 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-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559692
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544076
4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410084
1-(4-ethylphenyl)-3-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]thiourea
CID 19343839
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565937
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 19447912
2-[4-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500639
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide (CID 35521519) is N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide is CCCCC(=O)Nc1cnn(Cc2cccc(OC)c2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide?
The InChIKey is GHWBKKXUTJVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-8-16(20)18-14-10-17-19(12-14)11-13-6-5-7-15(9-13)21-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide?
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide has a molecular weight of 287.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]pentanamide is sourced from PubChem (CID 35521519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).