4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide

C17H23N5O2 — CID 111859405

IUPAC4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CO)CC2)n(Cc2ccccn2)n1
InChIInChI=1S/C17H23N5O2/c1-13-10-16(22(20-13)11-15-4-2-3-7-18-15)19-17(24)21-8-5-14(12-23)6-9-21/h2-4,7,10,14,23H,5-6,8-9,11-12H2,1H3,(H,19,24)
InChIKeyAHOLQSAJJLTRGY-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.87
Rot. Bonds4

About 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide (PubChem CID 111859405) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
PubChem CID111859405
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCC(CO)CC2)n(Cc2ccccn2)n1
InChIInChI=1S/C17H23N5O2/c1-13-10-16(22(20-13)11-15-4-2-3-7-18-15)19-17(24)21-8-5-14(12-23)6-9-21/h2-4,7,10,14,23H,5-6,8-9,11-12H2,1H3,(H,19,24)
InChIKeyAHOLQSAJJLTRGY-UHFFFAOYSA-N
XLogP1.87
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-1-(2,2-difluoroethyl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 71971474
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859411
1-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075426
5-methyl-2-(pyridin-2-ylmethyl)pyrazole-3-carboxylic acid
CID 83534624
1-(1-hydroxy-4-methylpentan-2-yl)-3-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 111859399
(3S,4S)-N-[2-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dihydroxypiperidine-1-carboxamide
CID 118791693
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618279
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034904
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894833
3-(aminomethyl)-N-[2-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazol-3-yl]pyrrolidine-1-carboxamide
CID 118787317
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide (CID 111859405) is 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide is Cc1cc(NC(=O)N2CCC(CO)CC2)n(Cc2ccccn2)n1.
What is the InChIKey of 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
The InChIKey is AHOLQSAJJLTRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-10-16(22(20-13)11-15-4-2-3-7-18-15)19-17(24)21-8-5-14(12-23)6-9-21/h2-4,7,10,14,23H,5-6,8-9,11-12H2,1H3,(H,19,24).
What are the key properties of 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 111859405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).