N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide

C20H26N4O2 — CID 5331001

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25)
InChIKeyRBPFQBARVLHLER-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.94
Rot. Bonds8

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide (PubChem CID 5331001) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
PubChem CID5331001
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25)
InChIKeyRBPFQBARVLHLER-UHFFFAOYSA-N
XLogP2.94
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide (CID 5331001) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide is O=C(Cc1ccc(OCCN2CCCC2)cc1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
The InChIKey is RBPFQBARVLHLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 5331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).