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

C17H19F2N5O2 — CID 59733368

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-9-22-24-15(13)17(26)21-8-10-4-6-20-7-5-10/h1-3,9-10,20H,4-8H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOVHFEVYUGJTFBA-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.67
Rot. Bonds5

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

4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 59733368) has the molecular formula C17H19F2N5O2 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID59733368
Molecular FormulaC17H19F2N5O2
Molecular Weight363.37 g/mol
Exact Mass363.15
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-9-22-24-15(13)17(26)21-8-10-4-6-20-7-5-10/h1-3,9-10,20H,4-8H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOVHFEVYUGJTFBA-UHFFFAOYSA-N
XLogP1.67
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 24889469
N-(cyclohexylmethyl)-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 118714288
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
N-[4-(aminomethyl)cyclohexyl]-4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162236390
4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 59733429
4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
4-[(2,6-difluorobenzoyl)amino]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 59733467
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
CID 66770779
4-[(2,6-difluorobenzoyl)amino]-N-[4-(oxan-3-ylmethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58094699
4-[(2,6-difluorobenzoyl)amino]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 59733451

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide (CID 59733368) is 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide is O=C(NCC1CCNCC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is OVHFEVYUGJTFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O2/c18-11-2-1-3-12(19)14(11)16(25)23-13-9-22-24-15(13)17(26)21-8-10-4-6-20-7-5-10/h1-3,9-10,20H,4-8H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).