1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea

C20H23N5O — CID 51954037

IUPAC1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESC[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)N(C)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-16(24(2)18-9-4-3-5-10-18)15-21-20(26)23-17-8-6-11-19(14-17)25-13-7-12-22-25/h3-14,16H,15H2,1-2H3,(H2,21,23,26)/t16-/m1/s1
InChIKeyVPDRZOHEPGDYAG-MRXNPFEDSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds6

About 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea

1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea (PubChem CID 51954037) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
PubChem CID51954037
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
SMILESC[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)N(C)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-16(24(2)18-9-4-3-5-10-18)15-21-20(26)23-17-8-6-11-19(14-17)25-13-7-12-22-25/h3-14,16H,15H2,1-2H3,(H2,21,23,26)/t16-/m1/s1
InChIKeyVPDRZOHEPGDYAG-MRXNPFEDSA-N
XLogP3.52
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51946427
1-[(2S)-2-(N-methylanilino)propyl]-3-[3-(pyridin-4-ylmethoxy)phenyl]urea
CID 52501543
1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 86995949
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766078
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
1-[2-(N-methylanilino)propyl]-3-[4-(1-methylimidazole-2-carbonyl)phenyl]urea
CID 51115577
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
CID 94078524
1-butyl-1-methyl-3-(3-pyrazol-1-ylphenyl)urea
CID 47223913
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea (CID 51954037) is 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea is C[C@H](CNC(=O)Nc1cccc(-n2cccn2)c1)N(C)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea?
The InChIKey is VPDRZOHEPGDYAG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16(24(2)18-9-4-3-5-10-18)15-21-20(26)23-17-8-6-11-19(14-17)25-13-7-12-22-25/h3-14,16H,15H2,1-2H3,(H2,21,23,26)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea?
1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea has a molecular weight of 349.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 51954037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).