1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

C20H27N7O — CID 125179560

IUPAC1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESO=C(Nc1ccnn1C[C@H]1CC=CCC1)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H27N7O/c28-20(24-17-7-12-26(13-8-17)19-14-21-10-11-22-19)25-18-6-9-23-27(18)15-16-4-2-1-3-5-16/h1-2,6,9-11,14,16-17H,3-5,7-8,12-13,15H2,(H2,24,25,28)/t16-/m0/s1
InChIKeyXRCIDAGYLZEUGR-INIZCTEOSA-N
MW381.48 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 125179560) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID125179560
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESO=C(Nc1ccnn1C[C@H]1CC=CCC1)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C20H27N7O/c28-20(24-17-7-12-26(13-8-17)19-14-21-10-11-22-19)25-18-6-9-23-27(18)15-16-4-2-1-3-5-16/h1-2,6,9-11,14,16-17H,3-5,7-8,12-13,15H2,(H2,24,25,28)/t16-/m0/s1
InChIKeyXRCIDAGYLZEUGR-INIZCTEOSA-N
XLogP2.82
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 97436202
N-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72930262
1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118779226
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 126433094
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]urea
CID 118776982
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118789447
1-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 97438298
3-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-1-cyclopropyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 125156602
1-[2-(cyclohex-3-en-1-ylmethyl)pyrazol-3-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 72867260
3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118778072

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 125179560) is 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is O=C(Nc1ccnn1C[C@H]1CC=CCC1)NC1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is XRCIDAGYLZEUGR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N7O/c28-20(24-17-7-12-26(13-8-17)19-14-21-10-11-22-19)25-18-6-9-23-27(18)15-16-4-2-1-3-5-16/h1-2,6,9-11,14,16-17H,3-5,7-8,12-13,15H2,(H2,24,25,28)/t16-/m0/s1.
What are the key properties of 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 381.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 125179560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).