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

C16H20ClN5O2 — CID 31846058

IUPAC(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)C[C@H](NC(N)=O)c1ccccc1Cl
InChIInChI=1S/C16H20ClN5O2/c1-21(9-11-8-19-22(2)10-11)15(23)7-14(20-16(18)24)12-5-3-4-6-13(12)17/h3-6,8,10,14H,7,9H2,1-2H3,(H3,18,20,24)/t14-/m0/s1
InChIKeyMDEFBIIGEBFTBZ-AWEZNQCLSA-N
MW349.82 g/mol
LogP1.83
Rot. Bonds6

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

(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 31846058) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID31846058
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)C[C@H](NC(N)=O)c1ccccc1Cl
InChIInChI=1S/C16H20ClN5O2/c1-21(9-11-8-19-22(2)10-11)15(23)7-14(20-16(18)24)12-5-3-4-6-13(12)17/h3-6,8,10,14H,7,9H2,1-2H3,(H3,18,20,24)/t14-/m0/s1
InChIKeyMDEFBIIGEBFTBZ-AWEZNQCLSA-N
XLogP1.83
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]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

(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32604442
N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 51266478
1-(2-chlorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 62631197
3-[1-(2-methoxyphenyl)ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 75459929
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
(3R)-3-(carbamoylamino)-3-(2-methylphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610026
(3R)-3-(carbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 51935662
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide
CID 51872823
[3-(4-acetylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxopropyl]urea
CID 42997460

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 31846058) is (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(C)c1)C(=O)C[C@H](NC(N)=O)c1ccccc1Cl.
What is the InChIKey of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is MDEFBIIGEBFTBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-21(9-11-8-19-22(2)10-11)15(23)7-14(20-16(18)24)12-5-3-4-6-13(12)17/h3-6,8,10,14H,7,9H2,1-2H3,(H3,18,20,24)/t14-/m0/s1.
What are the key properties of (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
(3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 349.82 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 31846058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).