N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine

C19H20N6 — CID 71845500

IUPACN-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1ccc2n[nH]nc2c1
InChIInChI=1S/C19H20N6/c1-13(2)19-14(12-25(23-19)16-6-4-3-5-7-16)11-20-15-8-9-17-18(10-15)22-24-21-17/h3-10,12-13,20H,11H2,1-2H3,(H,21,22,24)
InChIKeyATMQXDRQDUHJBK-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.88
Rot. Bonds5

About N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine

N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine (PubChem CID 71845500) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine.

Molecular Properties

Compound NameN-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
PubChem CID71845500
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC NameN-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1ccc2n[nH]nc2c1
InChIInChI=1S/C19H20N6/c1-13(2)19-14(12-25(23-19)16-6-4-3-5-7-16)11-20-15-8-9-17-18(10-15)22-24-21-17/h3-10,12-13,20H,11H2,1-2H3,(H,21,22,24)
InChIKeyATMQXDRQDUHJBK-UHFFFAOYSA-N
XLogP3.88
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pentan-2-ol
CID 111118849
4-methoxy-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 133380147
6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133420123
4-methyl-N-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 53474364
3,3-dimethyl-4-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111470664
6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridazin-3-amine
CID 133380129
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(1-phenyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 86879760
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3H-benzimidazol-5-amine
CID 43791200
3-bromo-4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 55201550
3-nitro-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 133420120
4,5-dimethyl-2-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137264925

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine?
The IUPAC name of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine (CID 71845500) is N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine.
What is the SMILES notation for N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine?
The canonical SMILES for N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine is CC(C)c1nn(-c2ccccc2)cc1CNc1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine?
The InChIKey is ATMQXDRQDUHJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-13(2)19-14(12-25(23-19)16-6-4-3-5-7-16)11-20-15-8-9-17-18(10-15)22-24-21-17/h3-10,12-13,20H,11H2,1-2H3,(H,21,22,24).
What are the key properties of N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine?
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine has a molecular weight of 332.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]-2H-benzotriazol-5-amine is sourced from PubChem (CID 71845500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).