4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

C14H17N3 — CID 114081148

IUPAC4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)cc1-c1cccc2c1CCC2N
InChIInChI=1S/C14H17N3/c1-9-13(8-17(2)16-9)10-4-3-5-12-11(10)6-7-14(12)15/h3-5,8,14H,6-7,15H2,1-2H3
InChIKeyOWYHDZOVRCISOR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.34
Rot. Bonds1

About 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081148) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081148
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCc1nn(C)cc1-c1cccc2c1CCC2N
InChIInChI=1S/C14H17N3/c1-9-13(8-17(2)16-9)10-4-3-5-12-11(10)6-7-14(12)15/h3-5,8,14H,6-7,15H2,1-2H3
InChIKeyOWYHDZOVRCISOR-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-4-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 134159261
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174
4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 114081115
4-(3-fluoro-4-pyridinyl)-2,3-dihydro-1H-inden-1-amine
CID 114081111
(1R)-4-trimethylsilyl-2,3-dihydro-1H-inden-1-amine
CID 140770742
4-(1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 151207873
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
[2-(1,3-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66008481
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
(1R)-5-[4-[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 164817442
3-(1,3-dimethylpyrazol-4-yl)benzene-1,2-dicarboxamide
CID 144733159
(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-amine
CID 122164050

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (CID 114081148) is 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is Cc1nn(C)cc1-c1cccc2c1CCC2N.
What is the InChIKey of 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OWYHDZOVRCISOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-13(8-17(2)16-9)10-4-3-5-12-11(10)6-7-14(12)15/h3-5,8,14H,6-7,15H2,1-2H3.
What are the key properties of 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 227.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).