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

C19H21F3N4O3 — CID 118714257

IUPACN-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O3/c1-29-12-8-6-11(7-9-12)24-18(28)16-15(10-23-26-16)25-17(27)13-4-2-3-5-14(13)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyMVCZXGIDNIHVFS-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.37
Rot. Bonds5

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

N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714257) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID118714257
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC NameN-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H21F3N4O3/c1-29-12-8-6-11(7-9-12)24-18(28)16-15(10-23-26-16)25-17(27)13-4-2-3-5-14(13)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,28)(H,25,27)
InChIKeyMVCZXGIDNIHVFS-UHFFFAOYSA-N
XLogP3.37
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Cdkl5/gsk3-IN-1
CID 59733332
N-(4-fluorophenyl)-4-(2-phenylacetamido)-1H-pyrazole-3-carboxamide
CID 24971316

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide (CID 118714257) is N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is MVCZXGIDNIHVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-29-12-8-6-11(7-9-12)24-18(28)16-15(10-23-26-16)25-17(27)13-4-2-3-5-14(13)19(20,21)22/h2-5,10-12H,6-9H2,1H3,(H,23,26)(H,24,28)(H,25,27).
What are the key properties of N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide?
N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 410.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).