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

C15H24N6O — CID 99587018

IUPAC1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCCCc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)n(C)n1
InChIInChI=1S/C15H24N6O/c1-5-6-12-9-14(21(4)20-12)17-15(22)16-10(2)7-13-8-11(3)18-19-13/h8-10H,5-7H2,1-4H3,(H,18,19)(H2,16,17,22)/t10-/m0/s1
InChIKeyVHTSYGRBEZZMBE-JTQLQIEISA-N
MW304.40 g/mol
LogP2.16
Rot. Bonds6

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

1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (PubChem CID 99587018) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
PubChem CID99587018
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
SMILESCCCc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)n(C)n1
InChIInChI=1S/C15H24N6O/c1-5-6-12-9-14(21(4)20-12)17-15(22)16-10(2)7-13-8-11(3)18-19-13/h8-10H,5-7H2,1-4H3,(H,18,19)(H2,16,17,22)/t10-/m0/s1
InChIKeyVHTSYGRBEZZMBE-JTQLQIEISA-N
XLogP2.16
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 124594257
1-(4,6-dimethyl-2-pyridinyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99624390
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99606047
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(5-methyl-2-pyridinyl)urea
CID 99595123
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99581238
1-(3-fluorophenyl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 97069201
1-[3-(1-methylimidazol-2-yl)phenyl]-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99711727
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951
1-(1-ethylindol-6-yl)-3-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 86816676
2-chloro-4-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]carbamoylamino]-N-propylbenzamide
CID 124593965
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99714466
1-(2,5-difluoro-4-methoxyphenyl)-3-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea
CID 99716281

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea (CID 99587018) is 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is CCCc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
The InChIKey is VHTSYGRBEZZMBE-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N6O/c1-5-6-12-9-14(21(4)20-12)17-15(22)16-10(2)7-13-8-11(3)18-19-13/h8-10H,5-7H2,1-4H3,(H,18,19)(H2,16,17,22)/t10-/m0/s1.
What are the key properties of 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea?
1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea has a molecular weight of 304.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propylpyrazol-5-yl)-3-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 99587018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).