1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea

C25H31N5O — CID 42874354

IUPAC1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H31N5O/c1-17(2)19-7-11-21(12-8-19)26-25(31)27-23-18(3)28-29-24(23)20-9-13-22(14-10-20)30-15-5-4-6-16-30/h7-14,17H,4-6,15-16H2,1-3H3,(H,28,29)(H2,26,27,31)
InChIKeyGYFSZGPATOCAFE-UHFFFAOYSA-N
MW417.56 g/mol
LogP6.14
Rot. Bonds5

About 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea

1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 42874354) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
PubChem CID42874354
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
SMILESCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C25H31N5O/c1-17(2)19-7-11-21(12-8-19)26-25(31)27-23-18(3)28-29-24(23)20-9-13-22(14-10-20)30-15-5-4-6-16-30/h7-14,17H,4-6,15-16H2,1-3H3,(H,28,29)(H2,26,27,31)
InChIKeyGYFSZGPATOCAFE-UHFFFAOYSA-N
XLogP6.14
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687416
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686466
4-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960697
2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 43936741
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 110695203
1-(2-methyl-6-propan-2-ylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108991715
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(4-propan-2-ylphenyl)urea
CID 43991446
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate
CID 42686484

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea (CID 42874354) is 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea is Cc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is GYFSZGPATOCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-17(2)19-7-11-21(12-8-19)26-25(31)27-23-18(3)28-29-24(23)20-9-13-22(14-10-20)30-15-5-4-6-16-30/h7-14,17H,4-6,15-16H2,1-3H3,(H,28,29)(H2,26,27,31).
What are the key properties of 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea?
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 417.56 g/mol, XLogP of 6.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 42874354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).