N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine

C15H21N3 — CID 105145918

IUPACN,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
SMILESCNC(c1ccn(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C15H21N3/c1-15(2,3)14(16-4)13-10-11-18(17-13)12-8-6-5-7-9-12/h5-11,14,16H,1-4H3
InChIKeyVISFATUOXRWHDE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.18
Rot. Bonds3

About N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine

N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine (PubChem CID 105145918) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
PubChem CID105145918
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
SMILESCNC(c1ccn(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C15H21N3/c1-15(2,3)14(16-4)13-10-11-18(17-13)12-8-6-5-7-9-12/h5-11,14,16H,1-4H3
InChIKeyVISFATUOXRWHDE-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105092106
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-3-yl)methanamine
CID 105187355
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
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
[3-methyl-1-(1-phenylpyrazol-3-yl)but-2-enyl]hydrazine
CID 105319814
5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105120552
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
N-ethyl-2-methyl-1-(1-phenylpyrazol-3-yl)butan-1-amine
CID 105170634
[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
CID 105313886
(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 105155569
N-ethyl-1-(1-phenylpyrazol-3-yl)but-3-en-1-amine
CID 105108672

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine (CID 105145918) is N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine is CNC(c1ccn(-c2ccccc2)n1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine?
The InChIKey is VISFATUOXRWHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)14(16-4)13-10-11-18(17-13)12-8-6-5-7-9-12/h5-11,14,16H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine?
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 105145918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).