N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine

C12H21N3 — CID 61365584

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCc1n[nH]c(C)c1CNC1(C)CCCC1
InChIInChI=1S/C12H21N3/c1-9-11(10(2)15-14-9)8-13-12(3)6-4-5-7-12/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyANQLFOFQHVJZEL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine (PubChem CID 61365584) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
PubChem CID61365584
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine
SMILESCc1n[nH]c(C)c1CNC1(C)CCCC1
InChIInChI=1S/C12H21N3/c1-9-11(10(2)15-14-9)8-13-12(3)6-4-5-7-12/h13H,4-8H2,1-3H3,(H,14,15)
InChIKeyANQLFOFQHVJZEL-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine (CID 61365584) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine is Cc1n[nH]c(C)c1CNC1(C)CCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
The InChIKey is ANQLFOFQHVJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-11(10(2)15-14-9)8-13-12(3)6-4-5-7-12/h13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopentan-1-amine is sourced from PubChem (CID 61365584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).