N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide

C17H19ClFN5O3 — CID 122693283

IUPACN-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFN5O3/c1-23-14(16(26)20-10-2-3-12(18)13(19)8-10)9-15(22-23)21-17(27)24-6-4-11(25)5-7-24/h2-3,8-9,11,25H,4-7H2,1H3,(H,20,26)(H,21,22,27)
InChIKeyPAZINNDTBVAISQ-UHFFFAOYSA-N
MW395.82 g/mol
LogP2.45
Rot. Bonds3

About N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide

N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 122693283) has the molecular formula C17H19ClFN5O3 and a molecular weight of 395.82 g/mol. Its IUPAC name is N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
PubChem CID122693283
Molecular FormulaC17H19ClFN5O3
Molecular Weight395.82 g/mol
Exact Mass395.12
IUPAC NameN-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFN5O3/c1-23-14(16(26)20-10-2-3-12(18)13(19)8-10)9-15(22-23)21-17(27)24-6-4-11(25)5-7-24/h2-3,8-9,11,25H,4-7H2,1H3,(H,20,26)(H,21,22,27)
InChIKeyPAZINNDTBVAISQ-UHFFFAOYSA-N
XLogP2.45
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693286
N-[5-[(3-ethylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693308
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(4-chloro-3-fluorophenyl)-4-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 72877104
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 146596384
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
2-[4-[(4-chloro-3-fluorophenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468063
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide (CID 122693283) is N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(O)CC2)cc1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is PAZINNDTBVAISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O3/c1-23-14(16(26)20-10-2-3-12(18)13(19)8-10)9-15(22-23)21-17(27)24-6-4-11(25)5-7-24/h2-3,8-9,11,25H,4-7H2,1H3,(H,20,26)(H,21,22,27).
What are the key properties of N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 395.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 122693283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).