N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C17H29N3O — CID 104620031

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)11-17(8-6-7-9-17)15(21)18-14-10-13(19-20-14)16(3,4)5/h10,12H,6-9,11H2,1-5H3,(H2,18,19,20,21)
InChIKeyQCJIWNUYBCLCLP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.25
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 104620031) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID104620031
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CCCC1
InChIInChI=1S/C17H29N3O/c1-12(2)11-17(8-6-7-9-17)15(21)18-14-10-13(19-20-14)16(3,4)5/h10,12H,6-9,11H2,1-5H3,(H2,18,19,20,21)
InChIKeyQCJIWNUYBCLCLP-UHFFFAOYSA-N
XLogP4.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 104620031) is N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)Nc2cc(C(C)(C)C)[nH]n2)CCCC1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is QCJIWNUYBCLCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)11-17(8-6-7-9-17)15(21)18-14-10-13(19-20-14)16(3,4)5/h10,12H,6-9,11H2,1-5H3,(H2,18,19,20,21).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104620031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).