N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

C19H24F2N4O3 — CID 59173963

IUPACN-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)ccc1OC(F)F
InChIInChI=1S/C19H24F2N4O3/c1-27-16-11-13(6-7-15(16)28-19(20)21)14-12-17(24-23-14)22-18(26)5-4-10-25-8-2-3-9-25/h6-7,11-12,19H,2-5,8-10H2,1H3,(H2,22,23,24,26)
InChIKeyRSSCGNORCFKUBM-UHFFFAOYSA-N
MW394.42 g/mol
LogP3.50
Rot. Bonds9

About N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide

N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59173963) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59173963
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC NameN-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1cc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)ccc1OC(F)F
InChIInChI=1S/C19H24F2N4O3/c1-27-16-11-13(6-7-15(16)28-19(20)21)14-12-17(24-23-14)22-18(26)5-4-10-25-8-2-3-9-25/h6-7,11-12,19H,2-5,8-10H2,1H3,(H2,22,23,24,26)
InChIKeyRSSCGNORCFKUBM-UHFFFAOYSA-N
XLogP3.50
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59173963) is N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is COc1cc(-c2cc(NC(=O)CCCN3CCCC3)n[nH]2)ccc1OC(F)F.
What is the InChIKey of N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is RSSCGNORCFKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-27-16-11-13(6-7-15(16)28-19(20)21)14-12-17(24-23-14)22-18(26)5-4-10-25-8-2-3-9-25/h6-7,11-12,19H,2-5,8-10H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 394.42 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 59173963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).