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

C19H22F2N4O4 — CID 118714271

IUPAC4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H22F2N4O4/c1-28-13-8-4-12(5-9-13)23-18(27)16-15(10-22-25-16)24-17(26)11-2-6-14(7-3-11)29-19(20)21/h2-3,6-7,10,12-13,19H,4-5,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyGDUUTLYCUXTGQM-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.95
Rot. Bonds7

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

4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714271) has the molecular formula C19H22F2N4O4 and a molecular weight of 408.41 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714271
Molecular FormulaC19H22F2N4O4
Molecular Weight408.41 g/mol
Exact Mass408.16
IUPAC Name4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C19H22F2N4O4/c1-28-13-8-4-12(5-9-13)23-18(27)16-15(10-22-25-16)24-17(26)11-2-6-14(7-3-11)29-19(20)21/h2-3,6-7,10,12-13,19H,4-5,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyGDUUTLYCUXTGQM-UHFFFAOYSA-N
XLogP2.95
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714271) is 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is GDUUTLYCUXTGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O4/c1-28-13-8-4-12(5-9-13)23-18(27)16-15(10-22-25-16)24-17(26)11-2-6-14(7-3-11)29-19(20)21/h2-3,6-7,10,12-13,19H,4-5,8-9H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)benzoyl]amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).