1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea

C21H23N5O — CID 167955612

IUPAC1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
SMILESCc1cccc(C2CC2C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1
InChIInChI=1S/C21H23N5O/c1-14-4-3-5-16(10-14)20-11-19(20)15(2)24-21(27)25-17-12-23-26(13-17)18-6-8-22-9-7-18/h3-10,12-13,15,19-20H,11H2,1-2H3,(H2,24,25,27)
InChIKeyUFATWLXCBYOUHT-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.89
Rot. Bonds5

About 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea

1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea (PubChem CID 167955612) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
PubChem CID167955612
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
SMILESCc1cccc(C2CC2C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1
InChIInChI=1S/C21H23N5O/c1-14-4-3-5-16(10-14)20-11-19(20)15(2)24-21(27)25-17-12-23-26(13-17)18-6-8-22-9-7-18/h3-10,12-13,15,19-20H,11H2,1-2H3,(H2,24,25,27)
InChIKeyUFATWLXCBYOUHT-UHFFFAOYSA-N
XLogP3.89
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076261
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472224
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
1-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3-methylphenyl)urea
CID 98329753
N-(4-hydroxycyclohexyl)-3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzamide
CID 117076294
methyl 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]benzoate
CID 117076127
6-methyl-N-[(1S)-1-[(1R,2R)-2-(3-methylphenyl)cyclopropyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 98768691
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
2-[2-(3-methylphenyl)cyclopropyl]propanamide
CID 67553478
1-[1-(4-methyl-3-pyridinyl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 166196323
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 166233965

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea (CID 167955612) is 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea is Cc1cccc(C2CC2C(C)NC(=O)Nc2cnn(-c3ccncc3)c2)c1.
What is the InChIKey of 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
The InChIKey is UFATWLXCBYOUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-4-3-5-16(10-14)20-11-19(20)15(2)24-21(27)25-17-12-23-26(13-17)18-6-8-22-9-7-18/h3-10,12-13,15,19-20H,11H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea?
1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea has a molecular weight of 361.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methylphenyl)cyclopropyl]ethyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea is sourced from PubChem (CID 167955612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).