4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

C18H21FN4O4 — CID 59733301

IUPAC4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H21FN4O4/c1-27-14-4-2-3-12(19)15(14)17(25)22-13-9-20-23-16(13)18(26)21-10-5-7-11(24)8-6-10/h2-4,9-11,24H,5-8H2,1H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyRTPAMILCIUSENJ-UHFFFAOYSA-N
MW376.39 g/mol
LogP1.84
Rot. Bonds5

About 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 59733301) has the molecular formula C18H21FN4O4 and a molecular weight of 376.39 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID59733301
Molecular FormulaC18H21FN4O4
Molecular Weight376.39 g/mol
Exact Mass376.15
IUPAC Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C18H21FN4O4/c1-27-14-4-2-3-12(19)15(14)17(25)22-13-9-20-23-16(13)18(26)21-10-5-7-11(24)8-6-10/h2-4,9-11,24H,5-8H2,1H3,(H,20,23)(H,21,26)(H,22,25)
InChIKeyRTPAMILCIUSENJ-UHFFFAOYSA-N
XLogP1.84
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862670
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 160503573
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
4-[(2-chloro-6-methoxybenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 59862803
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-[(2-chloro-6-fluoro-3-methoxybenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862773
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155518463
N-[1-(6-chloro-2-pyridinyl)piperidin-4-yl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59733311
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 59733301) is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is COc1cccc(F)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RTPAMILCIUSENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O4/c1-27-14-4-2-3-12(19)15(14)17(25)22-13-9-20-23-16(13)18(26)21-10-5-7-11(24)8-6-10/h2-4,9-11,24H,5-8H2,1H3,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).