N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride

C15H27ClN4O — CID 119600722

IUPACN-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCC2CN)cnn1C(C)(C)C.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-10-12(9-17-19(10)15(2,3)4)14(20)18-13-7-5-6-11(13)8-16;/h9,11,13H,5-8,16H2,1-4H3,(H,18,20);1H
InChIKeyWASYWPCVFPIASD-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.23
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119600722) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
PubChem CID119600722
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCCC2CN)cnn1C(C)(C)C.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-10-12(9-17-19(10)15(2,3)4)14(20)18-13-7-5-6-11(13)8-16;/h9,11,13H,5-8,16H2,1-4H3,(H,18,20);1H
InChIKeyWASYWPCVFPIASD-UHFFFAOYSA-N
XLogP2.23
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-tert-butylpyrazole-4-carboxamide;hydrochloride
CID 119600768
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 119602696
N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 119572405
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120575921
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120602508
N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119602714
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride (CID 119600722) is N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCCC2CN)cnn1C(C)(C)C.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is WASYWPCVFPIASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.ClH/c1-10-12(9-17-19(10)15(2,3)4)14(20)18-13-7-5-6-11(13)8-16;/h9,11,13H,5-8,16H2,1-4H3,(H,18,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119600722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).