N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine

C14H16N4 — CID 102909486

IUPACN-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N4/c1-9-14(10(2)18-17-9)16-8-11-3-4-13-12(7-11)5-6-15-13/h3-7,15-16H,8H2,1-2H3,(H,17,18)
InChIKeyPEYIIPHTUQSLHL-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.12
Rot. Bonds3

About N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 102909486) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID102909486
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H16N4/c1-9-14(10(2)18-17-9)16-8-11-3-4-13-12(7-11)5-6-15-13/h3-7,15-16H,8H2,1-2H3,(H,17,18)
InChIKeyPEYIIPHTUQSLHL-UHFFFAOYSA-N
XLogP3.12
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indol-6-yl)acetamide
CID 112525224
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547419
2-(1H-indol-5-ylmethylamino)-3-methylbenzoic acid
CID 69328762
2-bromo-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 102911718
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
2-chloro-N-(1H-indol-5-ylmethyl)-5-methylaniline
CID 107630712
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-(1H-indol-5-ylmethyl)-2-methyl-5-nitroaniline
CID 102909693
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
CID 102909317
N-(1H-indol-5-ylmethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 102909567

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 102909486) is N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is PEYIIPHTUQSLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-14(10(2)18-17-9)16-8-11-3-4-13-12(7-11)5-6-15-13/h3-7,15-16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 240.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 102909486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).