5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine

C15H18ClN3 — CID 103905336

IUPAC5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1c(CNC2Cc3ccc(Cl)cc3C2)cnn1C
InChIInChI=1S/C15H18ClN3/c1-10-13(9-18-19(10)2)8-17-15-6-11-3-4-14(16)5-12(11)7-15/h3-5,9,15,17H,6-8H2,1-2H3
InChIKeyDEGLLHLCHMBKCP-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.64
Rot. Bonds3

About 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 103905336) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID103905336
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine
SMILESCc1c(CNC2Cc3ccc(Cl)cc3C2)cnn1C
InChIInChI=1S/C15H18ClN3/c1-10-13(9-18-19(10)2)8-17-15-6-11-3-4-14(16)5-12(11)7-15/h3-5,9,15,17H,6-8H2,1-2H3
InChIKeyDEGLLHLCHMBKCP-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R)-N-((5-(3-chloro-5-fluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45268356
4-[4-(4-Chlorophenyl)-1H-pyrazol-1-yl]piperidine
CID 24212026
3-[4-[(1S,4S)-4-[(3-chlorophenyl)methylamino]cyclopent-2-en-1-yl]-3,5-dimethylpyrazol-1-yl]propanenitrile
CID 40777567
2-[4-[[(4-chloro-2,3-dihydro-1H-inden-1-yl)amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 56820877
N-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydro-1H-inden-2-amine
CID 75383057
(4-chlorophenyl)(1-methyl-1H-pyrazol-3-yl)methanamine
CID 65200505
1-(1-allyl-3-methyl-1H-pyrazol-4-yl)-N-(2-chloro-4-fluorobenzyl)methanamine
CID 46987011
(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 97251584
(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 99824209
2-(4-chloro-3-fluorophenyl)-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 121530938
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]methanamine
CID 134158291
8-chloro-6-(2-fluorophenyl)-1-methyl-5,6-dihydro-4H-pyrazolo[4,5-d][2]benzazepine
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine (CID 103905336) is 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine is Cc1c(CNC2Cc3ccc(Cl)cc3C2)cnn1C.
What is the InChIKey of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is DEGLLHLCHMBKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-13(9-18-19(10)2)8-17-15-6-11-3-4-14(16)5-12(11)7-15/h3-5,9,15,17H,6-8H2,1-2H3.
What are the key properties of 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 275.78 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 103905336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).