N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide

C18H23N3O2 — CID 42686893

IUPACN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCC1
InChIInChI=1S/C18H23N3O2/c1-3-15-17(19-18(22)12-7-4-5-8-12)16(21-20-15)13-9-6-10-14(11-13)23-2/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGNFXOXYNQCNWBD-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.78
Rot. Bonds5

About N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 42686893) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID42686893
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCC1
InChIInChI=1S/C18H23N3O2/c1-3-15-17(19-18(22)12-7-4-5-8-12)16(21-20-15)13-9-6-10-14(11-13)23-2/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGNFXOXYNQCNWBD-UHFFFAOYSA-N
XLogP3.78
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 42686893) is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide is CCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCC1.
What is the InChIKey of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is GNFXOXYNQCNWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-15-17(19-18(22)12-7-4-5-8-12)16(21-20-15)13-9-6-10-14(11-13)23-2/h6,9-12H,3-5,7-8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42686893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).