N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride

C14H25ClN4O — CID 119657524

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1n[nH]c2c1CCC2.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-9(2)11(15)7-8-18(3)14(19)13-10-5-4-6-12(10)16-17-13;/h9,11H,4-8,15H2,1-3H3,(H,16,17);1H
InChIKeyYSQUPMLYRREPHY-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.77
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride

N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119657524) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
PubChem CID119657524
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)C(N)CCN(C)C(=O)c1n[nH]c2c1CCC2.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-9(2)11(15)7-8-18(3)14(19)13-10-5-4-6-12(10)16-17-13;/h9,11H,4-8,15H2,1-3H3,(H,16,17);1H
InChIKeyYSQUPMLYRREPHY-UHFFFAOYSA-N
XLogP1.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride (CID 119657524) is N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride is CC(C)C(N)CCN(C)C(=O)c1n[nH]c2c1CCC2.Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is YSQUPMLYRREPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-9(2)11(15)7-8-18(3)14(19)13-10-5-4-6-12(10)16-17-13;/h9,11H,4-8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride?
N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119657524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).