N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C19H22F2N4O2 — CID 10407174

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H22F2N4O2/c1-2-3-15(19(27)23-17-10-16(24-25-17)12-4-5-12)22-18(26)8-11-6-13(20)9-14(21)7-11/h6-7,9-10,12,15H,2-5,8H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyWYVVSYRFTNUDAE-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.03
Rot. Bonds8

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 10407174) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID10407174
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H22F2N4O2/c1-2-3-15(19(27)23-17-10-16(24-25-17)12-4-5-12)22-18(26)8-11-6-13(20)9-14(21)7-11/h6-7,9-10,12,15H,2-5,8H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyWYVVSYRFTNUDAE-UHFFFAOYSA-N
XLogP3.03
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 10407174) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is WYVVSYRFTNUDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-2-3-15(19(27)23-17-10-16(24-25-17)12-4-5-12)22-18(26)8-11-6-13(20)9-14(21)7-11/h6-7,9-10,12,15H,2-5,8H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 376.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 10407174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).