N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide

C14H22N4O2 — CID 46985825

IUPACN-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide
SMILESCN(Cc1ccn[nH]1)C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C14H22N4O2/c1-18(10-12-8-9-15-17-12)14(20)7-6-13(19)16-11-4-2-3-5-11/h8-9,11H,2-7,10H2,1H3,(H,15,17)(H,16,19)
InChIKeyUPAPZHLLVVGTQW-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.21
Rot. Bonds6

About N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide

N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide (PubChem CID 46985825) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide
PubChem CID46985825
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide
SMILESCN(Cc1ccn[nH]1)C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C14H22N4O2/c1-18(10-12-8-9-15-17-12)14(20)7-6-13(19)16-11-4-2-3-5-11/h8-9,11H,2-7,10H2,1H3,(H,15,17)(H,16,19)
InChIKeyUPAPZHLLVVGTQW-UHFFFAOYSA-N
XLogP1.21
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide (CID 46985825) is N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide is CN(Cc1ccn[nH]1)C(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide?
The InChIKey is UPAPZHLLVVGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18(10-12-8-9-15-17-12)14(20)7-6-13(19)16-11-4-2-3-5-11/h8-9,11H,2-7,10H2,1H3,(H,15,17)(H,16,19).
What are the key properties of N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide?
N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide has a molecular weight of 278.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-methyl-N'-(1H-pyrazol-5-ylmethyl)butanediamide is sourced from PubChem (CID 46985825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).