N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

C17H21ClN4O2 — CID 111566301

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C17H21ClN4O2/c18-15-5-3-13(4-6-15)10-22-11-16(8-19-22)20-17(24)21-7-1-2-14(9-21)12-23/h3-6,8,11,14,23H,1-2,7,9-10,12H2,(H,20,24)
InChIKeyKAVVXOOKMQMXKN-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.82
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 111566301) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID111566301
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCC(CO)C1
InChIInChI=1S/C17H21ClN4O2/c18-15-5-3-13(4-6-15)10-22-11-16(8-19-22)20-17(24)21-7-1-2-14(9-21)12-23/h3-6,8,11,14,23H,1-2,7,9-10,12H2,(H,20,24)
InChIKeyKAVVXOOKMQMXKN-UHFFFAOYSA-N
XLogP2.82
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
3-(hydroxymethyl)-N-(1-phenylpyrazol-4-yl)piperidine-1-carboxamide
CID 111458967
(3R)-1-N-(1-benzylpyrazol-4-yl)-3-N-methylpiperidine-1,3-dicarboxamide
CID 95899241
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
3-[(2-chlorophenyl)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 69070499
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976450
(3S)-3-hydroxy-N-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 124855487
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide (CID 111566301) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)N1CCCC(CO)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is KAVVXOOKMQMXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-15-5-3-13(4-6-15)10-22-11-16(8-19-22)20-17(24)21-7-1-2-14(9-21)12-23/h3-6,8,11,14,23H,1-2,7,9-10,12H2,(H,20,24).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111566301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).