4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C19H22Cl2N4O3 — CID 118714254

IUPAC4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H22Cl2N4O3/c1-28-12-7-5-11(6-8-12)23-19(27)18-16(10-22-25-18)24-17(26)9-13-14(20)3-2-4-15(13)21/h2-4,10-12H,5-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyHDOIATBUQVHXDJ-UHFFFAOYSA-N
MW425.32 g/mol
LogP3.59
Rot. Bonds6

About 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714254) has the molecular formula C19H22Cl2N4O3 and a molecular weight of 425.32 g/mol. Its IUPAC name is 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714254
Molecular FormulaC19H22Cl2N4O3
Molecular Weight425.32 g/mol
Exact Mass424.11
IUPAC Name4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C19H22Cl2N4O3/c1-28-12-7-5-11(6-8-12)23-19(27)18-16(10-22-25-18)24-17(26)9-13-14(20)3-2-4-15(13)21/h2-4,10-12H,5-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyHDOIATBUQVHXDJ-UHFFFAOYSA-N
XLogP3.59
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide
CID 11338033
Pyrazole diamide, 26
CID 24971320
Pyrazole diamide, 32
CID 24971323
N-[(3S)-1-[[3-[[(E)-but-2-enoyl]amino]phenyl]methyl]pyrrolidin-3-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155518776
N-[(3S)-1-[[4-[[(E)-but-2-enoyl]amino]phenyl]methyl]pyrrolidin-3-yl]-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155527398
N-(4-methoxycyclohexyl)-4-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-pyrazole-5-carboxamide
CID 118714273
ZK 304709
CID 59733314
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91939017
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714252
4-benzamido-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714255
4-[(2-fluorobenzoyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
CID 118714256
N-(4-methoxycyclohexyl)-4-[[2-(trifluoromethyl)benzoyl]amino]-1H-pyrazole-5-carboxamide
CID 118714257

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714254) is 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HDOIATBUQVHXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3/c1-28-12-7-5-11(6-8-12)23-19(27)18-16(10-22-25-18)24-17(26)9-13-14(20)3-2-4-15(13)21/h2-4,10-12H,5-9H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 425.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dichlorophenyl)acetyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).