N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride

C20H18ClF3N4O — CID 142797933

IUPACN-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccnc(-c2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)c1.Cl
InChIInChI=1S/C20H17F3N4O.ClH/c1-12(28)25-15-8-9-24-17(10-15)13-4-6-16(7-5-13)27-18(14-2-3-14)11-19(26-27)20(21,22)23;/h4-11,14H,2-3H2,1H3,(H,24,25,28);1H
InChIKeyBHUJJFMPIWVOQA-UHFFFAOYSA-N
MW422.84 g/mol
LogP5.21
Rot. Bonds4

About N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride

N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride (PubChem CID 142797933) has the molecular formula C20H18ClF3N4O and a molecular weight of 422.84 g/mol. Its IUPAC name is N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
PubChem CID142797933
Molecular FormulaC20H18ClF3N4O
Molecular Weight422.84 g/mol
Exact Mass422.11
IUPAC NameN-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccnc(-c2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)c1.Cl
InChIInChI=1S/C20H17F3N4O.ClH/c1-12(28)25-15-8-9-24-17(10-15)13-4-6-16(7-5-13)27-18(14-2-3-14)11-19(26-27)20(21,22)23;/h4-11,14H,2-3H2,1H3,(H,24,25,28);1H
InChIKeyBHUJJFMPIWVOQA-UHFFFAOYSA-N
XLogP5.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.84
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride (CID 142797933) is N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride is CC(=O)Nc1ccnc(-c2ccc(-n3nc(C(F)(F)F)cc3C3CC3)cc2)c1.Cl.
What is the InChIKey of N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride?
The InChIKey is BHUJJFMPIWVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O.ClH/c1-12(28)25-15-8-9-24-17(10-15)13-4-6-16(7-5-13)27-18(14-2-3-14)11-19(26-27)20(21,22)23;/h4-11,14H,2-3H2,1H3,(H,24,25,28);1H.
What are the key properties of N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride?
N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride has a molecular weight of 422.84 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-pyridinyl]acetamide;hydrochloride is sourced from PubChem (CID 142797933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).