(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide

C16H21N5O3 — CID 97075482

IUPAC(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1cccc(NC(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)c1
InChIInChI=1S/C16H21N5O3/c1-21-10-11(8-19-21)6-12(15(17)22)9-18-16(23)20-13-4-3-5-14(7-13)24-2/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,17,22)(H2,18,20,23)/t12-/m0/s1
InChIKeyYPSJLQHCFWQZOP-LBPRGKRZSA-N
MW331.38 g/mol
LogP0.89
Rot. Bonds7

About (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide

(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 97075482) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID97075482
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1cccc(NC(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)c1
InChIInChI=1S/C16H21N5O3/c1-21-10-11(8-19-21)6-12(15(17)22)9-18-16(23)20-13-4-3-5-14(7-13)24-2/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,17,22)(H2,18,20,23)/t12-/m0/s1
InChIKeyYPSJLQHCFWQZOP-LBPRGKRZSA-N
XLogP0.89
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide 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-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
2-[(1-methylpyrazol-4-yl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 75391651
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(3-phenoxyphenyl)guanidine
CID 111599072
1-(3-methoxyphenyl)-3-[2-(1-methylindol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801412
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 71992926
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 97075482) is (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide is COc1cccc(NC(=O)NC[C@H](Cc2cnn(C)c2)C(N)=O)c1.
What is the InChIKey of (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is YPSJLQHCFWQZOP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-21-10-11(8-19-21)6-12(15(17)22)9-18-16(23)20-13-4-3-5-14(7-13)24-2/h3-5,7-8,10,12H,6,9H2,1-2H3,(H2,17,22)(H2,18,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide?
(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 97075482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).