4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole

C15H16ClN3 — CID 116623519

IUPAC4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
SMILESCC(C)n1ccc(Cn2ccc3c(Cl)cccc32)n1
InChIInChI=1S/C15H16ClN3/c1-11(2)19-9-6-12(17-19)10-18-8-7-13-14(16)4-3-5-15(13)18/h3-9,11H,10H2,1-2H3
InChIKeyRFLBZWPKQTXFEG-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.12
Rot. Bonds3

About 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole

4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole (PubChem CID 116623519) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole.

Molecular Properties

Compound Name4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
PubChem CID116623519
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
SMILESCC(C)n1ccc(Cn2ccc3c(Cl)cccc32)n1
InChIInChI=1S/C15H16ClN3/c1-11(2)19-9-6-12(17-19)10-18-8-7-13-14(16)4-3-5-15(13)18/h3-9,11H,10H2,1-2H3
InChIKeyRFLBZWPKQTXFEG-UHFFFAOYSA-N
XLogP4.12
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 82792719
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65469409
4-chloro-1-(pyridin-2-ylmethyl)indole
CID 116623601
4-chloro-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623800
1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 116623853
4-chloro-1-[(3,5-dimethylphenyl)methyl]indole
CID 116623712
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]indole
CID 116620312
1-[(1-methylpyrazol-3-yl)methyl]indole-4-carbonitrile
CID 107919071
(2S)-N-[2-(4-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)propanamide
CID 125431413
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106870007

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
The IUPAC name of 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole (CID 116623519) is 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole.
What is the SMILES notation for 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
The canonical SMILES for 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole is CC(C)n1ccc(Cn2ccc3c(Cl)cccc32)n1.
What is the InChIKey of 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
The InChIKey is RFLBZWPKQTXFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-11(2)19-9-6-12(17-19)10-18-8-7-13-14(16)4-3-5-15(13)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole?
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole has a molecular weight of 273.77 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole is sourced from PubChem (CID 116623519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).