N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C15H17F3N6O2 — CID 19337083

IUPACN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1C(=O)N1CCCCC1
InChIInChI=1S/C15H17F3N6O2/c1-23-12(14(26)24-5-3-2-4-6-24)10(8-19-23)20-13(25)9-7-11(22-21-9)15(16,17)18/h7-8H,2-6H2,1H3,(H,20,25)(H,21,22)
InChIKeyNLLHOMBXUXRZRS-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.04
Rot. Bonds3

About N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19337083) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19337083
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC NameN-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCn1ncc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1C(=O)N1CCCCC1
InChIInChI=1S/C15H17F3N6O2/c1-23-12(14(26)24-5-3-2-4-6-24)10(8-19-23)20-13(25)9-7-11(22-21-9)15(16,17)18/h7-8H,2-6H2,1H3,(H,20,25)(H,21,22)
InChIKeyNLLHOMBXUXRZRS-UHFFFAOYSA-N
XLogP2.04
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-methyl-5-(piperidin-1-ylcarbonyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 17024057
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779547
N-cyclopentyl-4-({[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17025340
N-ethyl-3-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 56865921
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 97899787
[2-(difluoromethyl)pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 138035400
4-({[1-(difluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-1-methyl-1H-pyrazole-5-carboxamide
CID 4767849
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
CID 4767870
N-[5-(aminocarbonyl)-1-methyl-1H-pyrazol-4-yl]-4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768107
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768135
N-[5-(Aminocarbonyl)-1-methyl-1H-pyrazol-4-YL]-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4768469
1-methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4770632

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19337083) is N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cn1ncc(NC(=O)c2cc(C(F)(F)F)[nH]n2)c1C(=O)N1CCCCC1.
What is the InChIKey of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NLLHOMBXUXRZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-23-12(14(26)24-5-3-2-4-6-24)10(8-19-23)20-13(25)9-7-11(22-21-9)15(16,17)18/h7-8H,2-6H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 370.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19337083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).