4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

C18H26F2N4O3 — CID 118714250

IUPAC4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C18H26F2N4O3/c1-27-13-4-2-12(3-5-13)22-17(26)15-14(10-21-24-15)23-16(25)11-6-8-18(19,20)9-7-11/h10-13H,2-9H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyBCTHVHCUWYGJKE-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.86
Rot. Bonds5

About 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide

4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (PubChem CID 118714250) has the molecular formula C18H26F2N4O3 and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
PubChem CID118714250
Molecular FormulaC18H26F2N4O3
Molecular Weight384.43 g/mol
Exact Mass384.20
IUPAC Name4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C18H26F2N4O3/c1-27-13-4-2-12(3-5-13)22-17(26)15-14(10-21-24-15)23-16(25)11-6-8-18(19,20)9-7-11/h10-13H,2-9H2,1H3,(H,21,24)(H,22,26)(H,23,25)
InChIKeyBCTHVHCUWYGJKE-UHFFFAOYSA-N
XLogP2.86
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide (CID 118714250) is 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
The InChIKey is BCTHVHCUWYGJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O3/c1-27-13-4-2-12(3-5-13)22-17(26)15-14(10-21-24-15)23-16(25)11-6-8-18(19,20)9-7-11/h10-13H,2-9H2,1H3,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide?
4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,4-difluorocyclohexanecarbonyl)amino]-N-(4-methoxycyclohexyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).