N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide

C18H30N4O2 — CID 50968242

IUPACN'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)15-11-14(20-21-15)12-22(4)17(24)10-9-16(23)19-13-7-5-6-8-13/h11,13H,5-10,12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyKLPLOWFDQJDLTB-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.50
Rot. Bonds6

About N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide

N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide (PubChem CID 50968242) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide.

Molecular Properties

Compound NameN'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide
PubChem CID50968242
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C18H30N4O2/c1-18(2,3)15-11-14(20-21-15)12-22(4)17(24)10-9-16(23)19-13-7-5-6-8-13/h11,13H,5-10,12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyKLPLOWFDQJDLTB-UHFFFAOYSA-N
XLogP2.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide?
The IUPAC name of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide (CID 50968242) is N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide.
What is the SMILES notation for N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide?
The canonical SMILES for N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide?
The InChIKey is KLPLOWFDQJDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,3)15-11-14(20-21-15)12-22(4)17(24)10-9-16(23)19-13-7-5-6-8-13/h11,13H,5-10,12H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide?
N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide has a molecular weight of 334.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-cyclopentyl-N'-methylbutanediamide is sourced from PubChem (CID 50968242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).