1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine

C15H19N3 — CID 105187355

IUPAC1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(-c2ccccc2)n1)C1CCC1
InChIInChI=1S/C15H19N3/c1-16-15(12-6-5-7-12)14-10-11-18(17-14)13-8-3-2-4-9-13/h2-4,8-12,15-16H,5-7H2,1H3
InChIKeyBTTVQMGFGHMEMD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.93
Rot. Bonds4

About 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine

1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 105187355) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine
PubChem CID105187355
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine
SMILESCNC(c1ccn(-c2ccccc2)n1)C1CCC1
InChIInChI=1S/C15H19N3/c1-16-15(12-6-5-7-12)14-10-11-18(17-14)13-8-3-2-4-9-13/h2-4,8-12,15-16H,5-7H2,1H3
InChIKeyBTTVQMGFGHMEMD-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105092106
N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105146116
N-methyl-1-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 103130976
N-[cyclohexen-1-yl-(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 106657298
4-[4-[cyclobutyl(methylamino)methyl]triazol-1-yl]benzenesulfonyl fluoride
CID 167904533
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 105187480
N-methyl-1-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 119919223

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine (CID 105187355) is 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine is CNC(c1ccn(-c2ccccc2)n1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is BTTVQMGFGHMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-16-15(12-6-5-7-12)14-10-11-18(17-14)13-8-3-2-4-9-13/h2-4,8-12,15-16H,5-7H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine?
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105187355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).