N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

C17H19F2N5O2 — CID 24971321

IUPACN-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESNC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyUTSGUQQUFYMTLL-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.94
Rot. Bonds4

About N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide

N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 24971321) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID24971321
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC NameN-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESNC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25)
InChIKeyUTSGUQQUFYMTLL-UHFFFAOYSA-N
XLogP1.94
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 24971321) is N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is NC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is UTSGUQQUFYMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-8-21-24-15(13)17(26)22-10-6-4-9(20)5-7-10/h1-3,8-10H,4-7,20H2,(H,21,24)(H,22,26)(H,23,25).
What are the key properties of N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24971321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).