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

C19H21N5O — CID 86799745

IUPAC1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
SMILESCc1cc(CC(C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1
InChIInChI=1S/C19H21N5O/c1-13(11-16-12-14(2)23-24-16)21-19(25)22-18-6-4-3-5-17(18)15-7-9-20-10-8-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyYUWNELMMMSXLPJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.53
Rot. Bonds5

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

1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea (PubChem CID 86799745) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
PubChem CID86799745
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea
SMILESCc1cc(CC(C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1
InChIInChI=1S/C19H21N5O/c1-13(11-16-12-14(2)23-24-16)21-19(25)22-18-6-4-3-5-17(18)15-7-9-20-10-8-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyYUWNELMMMSXLPJ-UHFFFAOYSA-N
XLogP3.53
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea?
The IUPAC name of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea (CID 86799745) is 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea.
What is the SMILES notation for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea?
The canonical SMILES for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea is Cc1cc(CC(C)NC(=O)Nc2ccccc2-c2ccncc2)n[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea?
The InChIKey is YUWNELMMMSXLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(11-16-12-14(2)23-24-16)21-19(25)22-18-6-4-3-5-17(18)15-7-9-20-10-8-15/h3-10,12-13H,11H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea?
1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea has a molecular weight of 335.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(2-pyridin-4-ylphenyl)urea is sourced from PubChem (CID 86799745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).