1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide

C19H26N6O — CID 118741386

IUPAC1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(-c3cn[nH]c3C3CCCCC3)n2)CC1
InChIInChI=1S/C19H26N6O/c20-18(26)14-7-10-25(11-8-14)19-21-9-6-16(23-19)15-12-22-24-17(15)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H2,20,26)(H,22,24)
InChIKeyPZCKMBKCOVRTLM-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 118741386) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID118741386
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nccc(-c3cn[nH]c3C3CCCCC3)n2)CC1
InChIInChI=1S/C19H26N6O/c20-18(26)14-7-10-25(11-8-14)19-21-9-6-16(23-19)15-12-22-24-17(15)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H2,20,26)(H,22,24)
InChIKeyPZCKMBKCOVRTLM-UHFFFAOYSA-N
XLogP2.62
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide (CID 118741386) is 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nccc(-c3cn[nH]c3C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is PZCKMBKCOVRTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-18(26)14-7-10-25(11-8-14)19-21-9-6-16(23-19)15-12-22-24-17(15)13-4-2-1-3-5-13/h6,9,12-14H,1-5,7-8,10-11H2,(H2,20,26)(H,22,24).
What are the key properties of 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclohexyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118741386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).