N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine

C13H16N4 — CID 112737176

IUPACN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine
SMILESCn1nccc1NC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H16N4/c1-17-13(6-7-15-17)14-9-11-8-10-4-2-3-5-12(10)16-11/h2-7,11,14,16H,8-9H2,1H3/t11-/m0/s1
InChIKeyQJJZXCBACXWTEZ-NSHDSACASA-N
MW228.30 g/mol
LogP1.87
Rot. Bonds3

About N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine

N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine (PubChem CID 112737176) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine
PubChem CID112737176
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine
SMILESCn1nccc1NC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C13H16N4/c1-17-13(6-7-15-17)14-9-11-8-10-4-2-3-5-12(10)16-11/h2-7,11,14,16H,8-9H2,1H3/t11-/m0/s1
InChIKeyQJJZXCBACXWTEZ-NSHDSACASA-N
XLogP1.87
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 103542592
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
CID 130522123
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 80567600
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-(furan-2-yl)ethanamine
CID 80567501
methyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamodithioate
CID 89003399
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
N-(2-azabicyclo[2.1.1]hexan-5-ylmethyl)-2-methylpyrazol-3-amine
CID 131062564
1-(2,3-dihydro-1H-indol-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]methanamine
CID 80567468

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine?
The IUPAC name of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine (CID 112737176) is N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine is Cn1nccc1NC[C@@H]1Cc2ccccc2N1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine?
The InChIKey is QJJZXCBACXWTEZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4/c1-17-13(6-7-15-17)14-9-11-8-10-4-2-3-5-12(10)16-11/h2-7,11,14,16H,8-9H2,1H3/t11-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine?
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine has a molecular weight of 228.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-2-methylpyrazol-3-amine is sourced from PubChem (CID 112737176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).