[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol

C16H18ClN3O — CID 102912844

IUPAC[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
SMILESCCc1nn(C)c(Cn2ccc3cc(CO)ccc32)c1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-13-16(17)15(19(2)18-13)9-20-7-6-12-8-11(10-21)4-5-14(12)20/h4-8,21H,3,9-10H2,1-2H3
InChIKeyFKEYDGPQFWPHPN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.13
Rot. Bonds4

About [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol

[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol (PubChem CID 102912844) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
PubChem CID102912844
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
SMILESCCc1nn(C)c(Cn2ccc3cc(CO)ccc32)c1Cl
InChIInChI=1S/C16H18ClN3O/c1-3-13-16(17)15(19(2)18-13)9-20-7-6-12-8-11(10-21)4-5-14(12)20/h4-8,21H,3,9-10H2,1-2H3
InChIKeyFKEYDGPQFWPHPN-UHFFFAOYSA-N
XLogP3.13
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indole
CID 116620605
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-5-yl]methanol
CID 102912413
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438
[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
CID 102912858
(1-butylindol-5-yl)methanol
CID 102912394
[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
CID 102912875
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408783
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol (CID 102912844) is [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol is CCc1nn(C)c(Cn2ccc3cc(CO)ccc32)c1Cl.
What is the InChIKey of [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol?
The InChIKey is FKEYDGPQFWPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-13-16(17)15(19(2)18-13)9-20-7-6-12-8-11(10-21)4-5-14(12)20/h4-8,21H,3,9-10H2,1-2H3.
What are the key properties of [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol?
[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol has a molecular weight of 303.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).