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

C12H21N3 — CID 175955790

IUPAC1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine
SMILESCc1cn(C)nc1NCC1(C)CCCC1
InChIInChI=1S/C12H21N3/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)
InChIKeyLYXWSFDQFUICSU-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds3

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

1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine (PubChem CID 175955790) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine
PubChem CID175955790
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine
SMILESCc1cn(C)nc1NCC1(C)CCCC1
InChIInChI=1S/C12H21N3/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)
InChIKeyLYXWSFDQFUICSU-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.72
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?
The IUPAC name of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine (CID 175955790) is 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine?
The canonical SMILES for 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine is Cc1cn(C)nc1NCC1(C)CCCC1.
What is the InChIKey of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine?
The InChIKey is LYXWSFDQFUICSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/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).
What are the key properties of 1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine?
1,4-dimethyl-N-[(1-methylcyclopentyl)methyl]pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 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 is sourced from PubChem (CID 175955790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).