N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine

C12H21N3 — CID 156699913

IUPACN-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine
SMILESCCC1(CNc2nn(C)cc2C)CCC1
InChIInChI=1S/C12H21N3/c1-4-12(6-5-7-12)9-13-11-10(2)8-15(3)14-11/h8H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyPGHSIAYCCVVYCG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.72
Rot. Bonds4

About N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine

N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine (PubChem CID 156699913) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine
PubChem CID156699913
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine
SMILESCCC1(CNc2nn(C)cc2C)CCC1
InChIInChI=1S/C12H21N3/c1-4-12(6-5-7-12)9-13-11-10(2)8-15(3)14-11/h8H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyPGHSIAYCCVVYCG-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine (CID 156699913) is N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine is CCC1(CNc2nn(C)cc2C)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine?
The InChIKey is PGHSIAYCCVVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(6-5-7-12)9-13-11-10(2)8-15(3)14-11/h8H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine?
N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 156699913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).