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

C17H18F2N4O3 — CID 24971320

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25)
InChIKeyIZIPWCFRXVNDNX-UHFFFAOYSA-N
MW364.35 g/mol
LogP1.97
Rot. Bonds4

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

4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 24971320) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID24971320
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25)
InChIKeyIZIPWCFRXVNDNX-UHFFFAOYSA-N
XLogP1.97
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4E)-N-(4-fluorophenyl)-4-[(phenylcarbonyl)imino]-4H-pyrazole-3-carboxamide
CID 24864078
(((2,6-difluorophenyl)carbonyl)amino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 24864079
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
Pyrazole diamide, 21
CID 24971317
N-(Cyclopropylmethyl)-4-(2,6-difluorobenzamido)-1H-pyrazole-3-carboxamide
CID 24971318
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322
N-(4-fluorophenyl)-4-(2-phenylacetamido)-1H-pyrazole-3-carboxamide
CID 24971316
N-(4-methoxycyclohexyl)-4-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazole-5-carboxamide
CID 118714273
Cdkl5/gsk3-IN-1
CID 59733332

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 24971320) is 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is O=C(NC1CCC(O)CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IZIPWCFRXVNDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c18-11-2-1-3-12(19)14(11)16(25)22-13-8-20-23-15(13)17(26)21-9-4-6-10(24)7-5-9/h1-3,8-10,24H,4-7H2,(H,20,23)(H,21,26)(H,22,25).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-(4-hydroxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).