1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea

C14H19N5O — CID 99595123

IUPAC1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)nc1
InChIInChI=1S/C14H19N5O/c1-9-4-5-13(15-8-9)17-14(20)16-10(2)6-12-7-11(3)18-19-12/h4-5,7-8,10H,6H2,1-3H3,(H,18,19)(H2,15,16,17,20)/t10-/m0/s1
InChIKeyLROKUABXPWIPPB-JTQLQIEISA-N
MW273.34 g/mol
LogP2.17
Rot. Bonds4

About 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea

1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 99595123) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID99595123
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)nc1
InChIInChI=1S/C14H19N5O/c1-9-4-5-13(15-8-9)17-14(20)16-10(2)6-12-7-11(3)18-19-12/h4-5,7-8,10H,6H2,1-3H3,(H,18,19)(H2,15,16,17,20)/t10-/m0/s1
InChIKeyLROKUABXPWIPPB-JTQLQIEISA-N
XLogP2.17
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethyl-2-pyridinyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99624390
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 91649344
1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 99583562
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(6-methylquinolin-8-yl)urea
CID 99584345
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
N,N,2-trimethyl-5-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]benzamide
CID 99715690
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99606047
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea (CID 99595123) is 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)nc1.
What is the InChIKey of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is LROKUABXPWIPPB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-4-5-13(15-8-9)17-14(20)16-10(2)6-12-7-11(3)18-19-12/h4-5,7-8,10H,6H2,1-3H3,(H,18,19)(H2,15,16,17,20)/t10-/m0/s1.
What are the key properties of 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea?
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 273.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 99595123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).