N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide

C18H22FN5O3 — CID 122693286

IUPACN-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
SMILESCc1cc(NC(=O)c2cc(NC(=O)N3CCC(O)CC3)nn2C)ccc1F
InChIInChI=1S/C18H22FN5O3/c1-11-9-12(3-4-14(11)19)20-17(26)15-10-16(22-23(15)2)21-18(27)24-7-5-13(25)6-8-24/h3-4,9-10,13,25H,5-8H2,1-2H3,(H,20,26)(H,21,22,27)
InChIKeyGBCIMHQPOGQHDC-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.11
Rot. Bonds3

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

N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 122693286) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
PubChem CID122693286
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC NameN-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
SMILESCc1cc(NC(=O)c2cc(NC(=O)N3CCC(O)CC3)nn2C)ccc1F
InChIInChI=1S/C18H22FN5O3/c1-11-9-12(3-4-14(11)19)20-17(26)15-10-16(22-23(15)2)21-18(27)24-7-5-13(25)6-8-24/h3-4,9-10,13,25H,5-8H2,1-2H3,(H,20,26)(H,21,22,27)
InChIKeyGBCIMHQPOGQHDC-UHFFFAOYSA-N
XLogP2.11
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-chloro-3-fluorophenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693283
N-[5-[(3-ethylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide
CID 122693308
4-[(3,5-dimethyl-4-pyridinyl)amino]-N-(4-fluoro-3-methylphenyl)piperidine-1-carboxamide
CID 134359569
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
3-[1,1-difluoro-2-(4-hydroxypiperidin-1-yl)prop-2-enyl]-2-fluoro-N-(4-fluoro-3-methylphenyl)benzamide
CID 161284226
N-(4-fluoro-3-methylphenyl)-5-[2-[[1-(4-hydroxypiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide
CID 146449795
(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 146596384
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 62812742
N-(4-fluoro-3-methylphenyl)-4-[(3-hydroxycyclobutyl)methylsulfonyl]-1-methylpyrrole-2-carboxamide
CID 149029187
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide (CID 122693286) is N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide is Cc1cc(NC(=O)c2cc(NC(=O)N3CCC(O)CC3)nn2C)ccc1F.
What is the InChIKey of N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is GBCIMHQPOGQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c1-11-9-12(3-4-14(11)19)20-17(26)15-10-16(22-23(15)2)21-18(27)24-7-5-13(25)6-8-24/h3-4,9-10,13,25H,5-8H2,1-2H3,(H,20,26)(H,21,22,27).
What are the key properties of N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide?
N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrazol-3-yl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 122693286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).