1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine

C17H22N4 — CID 19626838

IUPAC1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C17H22N4/c1-3-4-9-21-13(2)10-17(20-21)19-12-14-11-18-16-8-6-5-7-15(14)16/h5-8,10-11,18H,3-4,9,12H2,1-2H3,(H,19,20)
InChIKeyWTLNXMKLSMIVTR-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.09
Rot. Bonds6

About 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine

1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine (PubChem CID 19626838) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine
PubChem CID19626838
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2c[nH]c3ccccc23)cc1C
InChIInChI=1S/C17H22N4/c1-3-4-9-21-13(2)10-17(20-21)19-12-14-11-18-16-8-6-5-7-15(14)16/h5-8,10-11,18H,3-4,9,12H2,1-2H3,(H,19,20)
InChIKeyWTLNXMKLSMIVTR-UHFFFAOYSA-N
XLogP4.09
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-butyl-5-methylpyrazol-3-yl)amino]methyl]phenol
CID 19627572
1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine
CID 19626376
3-heptyl-1H-indole
CID 15360907
N-(1H-indol-3-ylmethyl)-1-pentylbenzimidazol-2-amine
CID 4205346
1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 19625980
2-N-(1H-indol-3-ylmethyl)-6-methylpyridine-2,5-diamine
CID 115147676
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(1H-indol-3-yl)propyl]-2-methylguanidine
CID 111753325
3-bromo-N-(1H-indol-3-ylmethyl)-5-methylaniline
CID 107582123
2-(1H-indol-3-ylmethyl)-1,1-dimethylhydrazine
CID 83003617
4-N-[2-(1H-indol-3-yl)ethyl]-6-N-pentylpyrimidine-4,6-diamine
CID 112862363
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
2-butoxy-N-(1H-indol-3-ylmethyl)ethanamine
CID 62325957

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine?
The IUPAC name of 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine (CID 19626838) is 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine is CCCCn1nc(NCc2c[nH]c3ccccc23)cc1C.
What is the InChIKey of 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine?
The InChIKey is WTLNXMKLSMIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-4-9-21-13(2)10-17(20-21)19-12-14-11-18-16-8-6-5-7-15(14)16/h5-8,10-11,18H,3-4,9,12H2,1-2H3,(H,19,20).
What are the key properties of 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine?
1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine has a molecular weight of 282.39 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(1H-indol-3-ylmethyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 19626838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).