4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide

C17H22N4O2 — CID 56782671

IUPAC4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C17H22N4O2/c1-13-11-21(15-5-3-2-4-6-15)19-16(13)18-17(23)20-9-7-14(12-22)8-10-20/h2-6,11,14,22H,7-10,12H2,1H3,(H,18,19,23)
InChIKeyNZEHDFCLHIYRIE-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.42
Rot. Bonds3

About 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide

4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 56782671) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID56782671
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCc1cn(-c2ccccc2)nc1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C17H22N4O2/c1-13-11-21(15-5-3-2-4-6-15)19-16(13)18-17(23)20-9-7-14(12-22)8-10-20/h2-6,11,14,22H,7-10,12H2,1H3,(H,18,19,23)
InChIKeyNZEHDFCLHIYRIE-UHFFFAOYSA-N
XLogP2.42
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-methyl-N-(4-methyl-1-phenylpyrazol-3-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 71867151
N-(3-methyl-1-phenylpyrazol-4-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773389
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
1-(1-hydroxybutan-2-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 111107558
1-(1-hydroxy-4-methylpentan-3-yl)-3-(4-methyl-1-phenylpyrazol-3-yl)urea
CID 71992278
3-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 126769236
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
CID 111458967
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
4-(hydroxymethyl)-N-[5-methyl-2-(pyridin-2-ylmethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 111859405
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51118797
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide (CID 56782671) is 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide is Cc1cn(-c2ccccc2)nc1NC(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is NZEHDFCLHIYRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-11-21(15-5-3-2-4-6-15)19-16(13)18-17(23)20-9-7-14(12-22)8-10-20/h2-6,11,14,22H,7-10,12H2,1H3,(H,18,19,23).
What are the key properties of 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide?
4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(4-methyl-1-phenylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 56782671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).