N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide

C16H18F3N3O — CID 42686560

IUPACN-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC
InChIInChI=1S/C16H18F3N3O/c1-3-5-12-15(20-13(23)4-2)14(22-21-12)10-6-8-11(9-7-10)16(17,18)19/h6-9H,3-5H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySRASDGJWPYWYGX-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.40
Rot. Bonds5

About N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide

N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide (PubChem CID 42686560) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide
PubChem CID42686560
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide
SMILESCCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC
InChIInChI=1S/C16H18F3N3O/c1-3-5-12-15(20-13(23)4-2)14(22-21-12)10-6-8-11(9-7-10)16(17,18)19/h6-9H,3-5H2,1-2H3,(H,20,23)(H,21,22)
InChIKeySRASDGJWPYWYGX-UHFFFAOYSA-N
XLogP4.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide (CID 42686560) is N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide is CCCc1[nH]nc(-c2ccc(C(F)(F)F)cc2)c1NC(=O)CC.
What is the InChIKey of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
The InChIKey is SRASDGJWPYWYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-3-5-12-15(20-13(23)4-2)14(22-21-12)10-6-8-11(9-7-10)16(17,18)19/h6-9H,3-5H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide?
N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide has a molecular weight of 325.33 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 42686560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).