4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C18H21FN4O3 — CID 118714256

IUPAC4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H21FN4O3/c1-26-12-8-6-11(7-9-12)21-18(25)16-15(10-20-23-16)22-17(24)13-4-2-3-5-14(13)19/h2-5,10-12H,6-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNVMFUMAPEQWKHK-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.49
Rot. Bonds5

About 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714256) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714256
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H21FN4O3/c1-26-12-8-6-11(7-9-12)21-18(25)16-15(10-20-23-16)22-17(24)13-4-2-3-5-14(13)19/h2-5,10-12H,6-9H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNVMFUMAPEQWKHK-UHFFFAOYSA-N
XLogP2.49
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.49
H-Bond Donors ≤ 53
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, 26
CID 24971320
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322
Pyrazole diamide, 32
CID 24971323
Cdkl5/gsk3-IN-1
CID 59733332

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714256) is 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NVMFUMAPEQWKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-26-12-8-6-11(7-9-12)21-18(25)16-15(10-20-23-16)22-17(24)13-4-2-3-5-14(13)19/h2-5,10-12H,6-9H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).