1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C13H14N4 — CID 102847635

IUPAC1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESc1cc(CNCc2cn[nH]c2)c2[nH]ccc2c1
InChIInChI=1S/C13H14N4/c1-2-11-4-5-15-13(11)12(3-1)9-14-6-10-7-16-17-8-10/h1-5,7-8,14-15H,6,9H2,(H,16,17)
InChIKeyMUOMKBKEZSNKJS-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.18
Rot. Bonds4

About 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 102847635) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID102847635
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESc1cc(CNCc2cn[nH]c2)c2[nH]ccc2c1
InChIInChI=1S/C13H14N4/c1-2-11-4-5-15-13(11)12(3-1)9-14-6-10-7-16-17-8-10/h1-5,7-8,14-15H,6,9H2,(H,16,17)
InChIKeyMUOMKBKEZSNKJS-UHFFFAOYSA-N
XLogP2.18
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000262
1-(1,3-benzodioxol-4-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897096
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-1-(1H-indol-7-yl)methanamine
CID 103748728
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
1-(1H-indol-7-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 167980095
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 79979585
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(1H-indol-7-yl)methanamine
CID 104889469
N-(1H-indol-7-ylmethyl)-2-methylsulfanylethanamine;hydrochloride
CID 115606849
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
2-butoxy-N-(1H-indol-7-ylmethyl)ethanamine
CID 113230724

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 102847635) is 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine is c1cc(CNCc2cn[nH]c2)c2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is MUOMKBKEZSNKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-11-4-5-15-13(11)12(3-1)9-14-6-10-7-16-17-8-10/h1-5,7-8,14-15H,6,9H2,(H,16,17).
What are the key properties of 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 226.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 102847635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).