(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide

C18H21N5O2 — CID 97138809

IUPAC(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCc1cnn(-c2cccc(OC)c2)c1)n1cccn1
InChIInChI=1S/C18H21N5O2/c1-3-17(22-9-5-8-20-22)18(24)19-11-14-12-21-23(13-14)15-6-4-7-16(10-15)25-2/h4-10,12-13,17H,3,11H2,1-2H3,(H,19,24)/t17-/m0/s1
InChIKeyZPDGRWNJOFJZQA-KRWDZBQOSA-N
MW339.40 g/mol
LogP2.34
Rot. Bonds7

About (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide

(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97138809) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID97138809
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCc1cnn(-c2cccc(OC)c2)c1)n1cccn1
InChIInChI=1S/C18H21N5O2/c1-3-17(22-9-5-8-20-22)18(24)19-11-14-12-21-23(13-14)15-6-4-7-16(10-15)25-2/h4-10,12-13,17H,3,11H2,1-2H3,(H,19,24)/t17-/m0/s1
InChIKeyZPDGRWNJOFJZQA-KRWDZBQOSA-N
XLogP2.34
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide 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)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131935325
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 72922589
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911334
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111251127
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70763536
5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
[1-(3-methoxyphenyl)pyrazol-4-yl] hydrogen carbonate
CID 117230396
N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
CID 146095566
5-acetyl-N-[1-[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 42368417

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide (CID 97138809) is (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide is CC[C@@H](C(=O)NCc1cnn(-c2cccc(OC)c2)c1)n1cccn1.
What is the InChIKey of (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is ZPDGRWNJOFJZQA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-17(22-9-5-8-20-22)18(24)19-11-14-12-21-23(13-14)15-6-4-7-16(10-15)25-2/h4-10,12-13,17H,3,11H2,1-2H3,(H,19,24)/t17-/m0/s1.
What are the key properties of (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide?
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 339.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97138809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).