N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C10H9ClF3N5O — CID 19283427

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H9ClF3N5O/c11-6-4-16-19(5-6)2-1-15-9(20)7-3-8(18-17-7)10(12,13)14/h3-5H,1-2H2,(H,15,20)(H,17,18)
InChIKeyNMVYSJCDROOZHJ-UHFFFAOYSA-N
MW307.66 g/mol
LogP1.71
Rot. Bonds4

About N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19283427) has the molecular formula C10H9ClF3N5O and a molecular weight of 307.66 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19283427
Molecular FormulaC10H9ClF3N5O
Molecular Weight307.66 g/mol
Exact Mass307.04
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C10H9ClF3N5O/c11-6-4-16-19(5-6)2-1-15-9(20)7-3-8(18-17-7)10(12,13)14/h3-5H,1-2H2,(H,15,20)(H,17,18)
InChIKeyNMVYSJCDROOZHJ-UHFFFAOYSA-N
XLogP1.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.66
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19283427) is N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(NCCn1cc(Cl)cn1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is NMVYSJCDROOZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N5O/c11-6-4-16-19(5-6)2-1-15-9(20)7-3-8(18-17-7)10(12,13)14/h3-5H,1-2H2,(H,15,20)(H,17,18).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 307.66 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19283427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).