1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride

C12H22ClN3 — CID 175955789

IUPAC1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cn(C)nc1NCC1(C)CCCC1.Cl
InChIInChI=1S/C12H21N3.ClH/c1-10-8-15(3)14-11(10)13-9-12(2)6-4-5-7-12;/h8H,4-7,9H2,1-3H3,(H,13,14);1H
InChIKeyVYJSSKXPWSOELD-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.14
Rot. Bonds3

About 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride

1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 175955789) has the molecular formula C12H22ClN3 and a molecular weight of 243.78 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID175955789
Molecular FormulaC12H22ClN3
Molecular Weight243.78 g/mol
Exact Mass243.15
IUPAC Name1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride
SMILESCc1cn(C)nc1NCC1(C)CCCC1.Cl
InChIInChI=1S/C12H21N3.ClH/c1-10-8-15(3)14-11(10)13-9-12(2)6-4-5-7-12;/h8H,4-7,9H2,1-3H3,(H,13,14);1H
InChIKeyVYJSSKXPWSOELD-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride (CID 175955789) is 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride is Cc1cn(C)nc1NCC1(C)CCCC1.Cl.
What is the InChIKey of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is VYJSSKXPWSOELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.ClH/c1-10-8-15(3)14-11(10)13-9-12(2)6-4-5-7-12;/h8H,4-7,9H2,1-3H3,(H,13,14);1H.
What are the key properties of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride?
1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 175955789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).