N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide

C15H17ClF3N5O — CID 17020784

IUPACN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H17ClF3N5O/c1-23-10(5-7-21-23)14(25)20-6-2-8-24-12(9-3-4-9)11(16)13(22-24)15(17,18)19/h5,7,9H,2-4,6,8H2,1H3,(H,20,25)
InChIKeyUIFLTNKYJWNWEA-UHFFFAOYSA-N
MW375.78 g/mol
LogP2.99
Rot. Bonds6

About N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide

N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide (PubChem CID 17020784) has the molecular formula C15H17ClF3N5O and a molecular weight of 375.78 g/mol. Its IUPAC name is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
PubChem CID17020784
Molecular FormulaC15H17ClF3N5O
Molecular Weight375.78 g/mol
Exact Mass375.11
IUPAC NameN-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H17ClF3N5O/c1-23-10(5-7-21-23)14(25)20-6-2-8-24-12(9-3-4-9)11(16)13(22-24)15(17,18)19/h5,7,9H,2-4,6,8H2,1H3,(H,20,25)
InChIKeyUIFLTNKYJWNWEA-UHFFFAOYSA-N
XLogP2.99
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide (CID 17020784) is N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCCCn1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is UIFLTNKYJWNWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF3N5O/c1-23-10(5-7-21-23)14(25)20-6-2-8-24-12(9-3-4-9)11(16)13(22-24)15(17,18)19/h5,7,9H,2-4,6,8H2,1H3,(H,20,25).
What are the key properties of N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide?
N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 375.78 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 17020784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).