1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea

C18H27N7O — CID 125163687

IUPAC1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCCC[C@@H](C)n1nccc1NC(=O)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H27N7O/c1-3-4-14(2)25-16(5-8-21-25)23-18(26)22-15-6-11-24(12-7-15)17-13-19-9-10-20-17/h5,8-10,13-15H,3-4,6-7,11-12H2,1-2H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyREERYLOZPPUOIP-CQSZACIVSA-N
MW357.46 g/mol
LogP2.82
Rot. Bonds6

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

1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (PubChem CID 125163687) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
PubChem CID125163687
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
SMILESCCC[C@@H](C)n1nccc1NC(=O)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H27N7O/c1-3-4-14(2)25-16(5-8-21-25)23-18(26)22-15-6-11-24(12-7-15)17-13-19-9-10-20-17/h5,8-10,13-15H,3-4,6-7,11-12H2,1-2H3,(H2,22,23,26)/t14-/m1/s1
InChIKeyREERYLOZPPUOIP-CQSZACIVSA-N
XLogP2.82
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-(4-ethylsulfanylphenyl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118779226
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
1-[2-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 125179560
1-(1-propyltriazol-4-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118789447
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47103204
1-(2-methyl-1,3-benzothiazol-5-yl)-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 118784685
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
N-ethyl-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134005797
N-(2-methylbutan-2-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222636
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea (CID 125163687) is 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is CCC[C@@H](C)n1nccc1NC(=O)NC1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
The InChIKey is REERYLOZPPUOIP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N7O/c1-3-4-14(2)25-16(5-8-21-25)23-18(26)22-15-6-11-24(12-7-15)17-13-19-9-10-20-17/h5,8-10,13-15H,3-4,6-7,11-12H2,1-2H3,(H2,22,23,26)/t14-/m1/s1.
What are the key properties of 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea?
1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea has a molecular weight of 357.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-pentan-2-yl]pyrazol-3-yl]-3-(1-pyrazin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 125163687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).