1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C14H16N4 — CID 102910896

IUPAC1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N4/c1-18-13(5-7-17-18)10-15-9-11-2-3-14-12(8-11)4-6-16-14/h2-8,15-16H,9-10H2,1H3
InChIKeyUMYWOEHQVLDOTE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.19
Rot. Bonds4

About 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 102910896) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID102910896
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCn1nccc1CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N4/c1-18-13(5-7-17-18)10-15-9-11-2-3-14-12(8-11)4-6-16-14/h2-8,15-16H,9-10H2,1H3
InChIKeyUMYWOEHQVLDOTE-UHFFFAOYSA-N
XLogP2.19
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-(1H-indol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 102910851
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-(1H-indol-5-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 102910898
1-(1H-indol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 102910369
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
1-(1H-indol-5-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 102910805
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
N-(1H-indol-5-ylmethyl)-1-(3-methoxyphenyl)methanamine
CID 17221716
N-(1H-indol-5-ylmethyl)prop-2-en-1-amine
CID 53274484

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 102910896) is 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cn1nccc1CNCc1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is UMYWOEHQVLDOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18-13(5-7-17-18)10-15-9-11-2-3-14-12(8-11)4-6-16-14/h2-8,15-16H,9-10H2,1H3.
What are the key properties of 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 240.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 102910896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).