1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C19H23N5 — CID 86772207

IUPAC1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cc(CNC2CCCc3c2cnn3Cc2ccccc2)cn1
InChIInChI=1S/C19H23N5/c1-23-13-16(11-21-23)10-20-18-8-5-9-19-17(18)12-22-24(19)14-15-6-3-2-4-7-15/h2-4,6-7,11-13,18,20H,5,8-10,14H2,1H3
InChIKeyYOPNCXGYKDSCSU-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.83
Rot. Bonds5

About 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 86772207) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID86772207
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1cc(CNC2CCCc3c2cnn3Cc2ccccc2)cn1
InChIInChI=1S/C19H23N5/c1-23-13-16(11-21-23)10-20-18-8-5-9-19-17(18)12-22-24(19)14-15-6-3-2-4-7-15/h2-4,6-7,11-13,18,20H,5,8-10,14H2,1H3
InChIKeyYOPNCXGYKDSCSU-UHFFFAOYSA-N
XLogP2.83
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
Fezolamine
CID 54567
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
1-ethyl-3-methyl-4-[(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 2986538
1-methyl-1H-indazol-6-amine
CID 840433
2-Methyl-5-(3-methyl-1-phenyl-1H-pyrazol-4-yl)-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 651250
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16187528
1-[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 16188219
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-(1H-indazol-1-yl)propan-1-amine
CID 16188877

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 86772207) is 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1cc(CNC2CCCc3c2cnn3Cc2ccccc2)cn1.
What is the InChIKey of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is YOPNCXGYKDSCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-23-13-16(11-21-23)10-20-18-8-5-9-19-17(18)12-22-24(19)14-15-6-3-2-4-7-15/h2-4,6-7,11-13,18,20H,5,8-10,14H2,1H3.
What are the key properties of 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 321.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 86772207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).