1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

C16H17N7O — CID 166196323

IUPAC1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1ccncc1C(C)NC(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C16H17N7O/c1-11-4-7-17-9-14(11)12(2)21-16(24)22-13-8-20-23(10-13)15-18-5-3-6-19-15/h3-10,12H,1-2H3,(H2,21,22,24)
InChIKeyCNZIXOWZLIMBEJ-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.25
Rot. Bonds4

About 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea

1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (PubChem CID 166196323) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
PubChem CID166196323
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
SMILESCc1ccncc1C(C)NC(=O)Nc1cnn(-c2ncccn2)c1
InChIInChI=1S/C16H17N7O/c1-11-4-7-17-9-14(11)12(2)21-16(24)22-13-8-20-23(10-13)15-18-5-3-6-19-15/h3-10,12H,1-2H3,(H2,21,22,24)
InChIKeyCNZIXOWZLIMBEJ-UHFFFAOYSA-N
XLogP2.25
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(4-chlorophenyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95776857
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899561
1-[(1R)-1-pyridin-4-ylpropyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899569
1-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 99714951
1-[2-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 75521636
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1,1-diethyl-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 71984790
1-(2-methylphenyl)-N-(1-pyrimidin-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 126810443
1-(3-chloro-4-methylphenyl)-3-[(1S)-1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 171409301
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]urea
CID 95786593
N-(3,4-dimethoxyphenyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
CID 167766154
1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea (CID 166196323) is 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is Cc1ccncc1C(C)NC(=O)Nc1cnn(-c2ncccn2)c1.
What is the InChIKey of 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
The InChIKey is CNZIXOWZLIMBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-11-4-7-17-9-14(11)12(2)21-16(24)22-13-8-20-23(10-13)15-18-5-3-6-19-15/h3-10,12H,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea?
1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea has a molecular weight of 323.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 166196323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).