1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea

C15H22N6O — CID 86789203

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
SMILESCc1[nH]ncc1CNC(=O)NC1CCCCC1n1cccn1
InChIInChI=1S/C15H22N6O/c1-11-12(10-17-20-11)9-16-15(22)19-13-5-2-3-6-14(13)21-8-4-7-18-21/h4,7-8,10,13-14H,2-3,5-6,9H2,1H3,(H,17,20)(H2,16,19,22)
InChIKeyZXGZMRIOXDTEQZ-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.90
Rot. Bonds4

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

1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea (PubChem CID 86789203) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
PubChem CID86789203
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
SMILESCc1[nH]ncc1CNC(=O)NC1CCCCC1n1cccn1
InChIInChI=1S/C15H22N6O/c1-11-12(10-17-20-11)9-16-15(22)19-13-5-2-3-6-14(13)21-8-4-7-18-21/h4,7-8,10,13-14H,2-3,5-6,9H2,1H3,(H,17,20)(H2,16,19,22)
InChIKeyZXGZMRIOXDTEQZ-UHFFFAOYSA-N
XLogP1.90
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea (CID 86789203) is 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea is Cc1[nH]ncc1CNC(=O)NC1CCCCC1n1cccn1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
The InChIKey is ZXGZMRIOXDTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11-12(10-17-20-11)9-16-15(22)19-13-5-2-3-6-14(13)21-8-4-7-18-21/h4,7-8,10,13-14H,2-3,5-6,9H2,1H3,(H,17,20)(H2,16,19,22).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea?
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea has a molecular weight of 302.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea is sourced from PubChem (CID 86789203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).