N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine

C15H18N4 — CID 102909317

IUPACN-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H18N4/c1-10-15(11(2)19(3)18-10)17-9-12-4-5-13-6-7-16-14(13)8-12/h4-8,16-17H,9H2,1-3H3
InChIKeyHBKIJNJBLVOYGW-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.13
Rot. Bonds3

About N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine

N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 102909317) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID102909317
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc2cc[nH]c2c1
InChIInChI=1S/C15H18N4/c1-10-15(11(2)19(3)18-10)17-9-12-4-5-13-6-7-16-14(13)8-12/h4-8,16-17H,9H2,1-3H3
InChIKeyHBKIJNJBLVOYGW-UHFFFAOYSA-N
XLogP3.13
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664304
N-[(3,4-difluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664340
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-bromophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664301
2,4,6-tribromo-N-(1H-indol-6-ylmethyl)aniline
CID 102909414
1,3,5-trimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazol-4-amine
CID 43768843
N-[(3-fluorophenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664321
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
2-methoxy-4-[[(1,3,5-trimethylpyrazol-4-yl)amino]methyl]phenol
CID 28664303
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
N-[[4-(diethylamino)phenyl]methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28664920
N-(1H-indol-5-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102909486

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine (CID 102909317) is N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc2cc[nH]c2c1.
What is the InChIKey of N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is HBKIJNJBLVOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-15(11(2)19(3)18-10)17-9-12-4-5-13-6-7-16-14(13)8-12/h4-8,16-17H,9H2,1-3H3.
What are the key properties of N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine?
N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 254.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-ylmethyl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 102909317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).