(2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide

C15H17ClF3N5O — CID 2170939

IUPAC(2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)cnn1C
InChIInChI=1S/C15H17ClF3N5O/c1-7-10(6-20-23(7)3)21-14(25)8(2)24-12(9-4-5-9)11(16)13(22-24)15(17,18)19/h6,8-9H,4-5H2,1-3H3,(H,21,25)/t8-/m0/s1
InChIKeyNZTYFGISCYUHCE-QMMMGPOBSA-N
MW375.78 g/mol
LogP3.67
Rot. Bonds4

About (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide

(2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide (PubChem CID 2170939) has the molecular formula C15H17ClF3N5O and a molecular weight of 375.78 g/mol. Its IUPAC name is (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
PubChem CID2170939
Molecular FormulaC15H17ClF3N5O
Molecular Weight375.78 g/mol
Exact Mass375.11
IUPAC Name(2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)cnn1C
InChIInChI=1S/C15H17ClF3N5O/c1-7-10(6-20-23(7)3)21-14(25)8(2)24-12(9-4-5-9)11(16)13(22-24)15(17,18)19/h6,8-9H,4-5H2,1-3H3,(H,21,25)/t8-/m0/s1
InChIKeyNZTYFGISCYUHCE-QMMMGPOBSA-N
XLogP3.67
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.78
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide (CID 2170939) is (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide is Cc1c(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C2CC2)cnn1C.
What is the InChIKey of (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
The InChIKey is NZTYFGISCYUHCE-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17ClF3N5O/c1-7-10(6-20-23(7)3)21-14(25)8(2)24-12(9-4-5-9)11(16)13(22-24)15(17,18)19/h6,8-9H,4-5H2,1-3H3,(H,21,25)/t8-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide?
(2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide has a molecular weight of 375.78 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,5-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 2170939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).