(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol

C13H14ClN3O — CID 114638231

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cccc2c1NCC2
InChIInChI=1S/C13H14ClN3O/c1-17-12(10(14)7-16-17)13(18)9-4-2-3-8-5-6-15-11(8)9/h2-4,7,13,15,18H,5-6H2,1H3
InChIKeyQLJCMDPQNILSKT-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.12
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol (PubChem CID 114638231) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol
PubChem CID114638231
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol
SMILESCn1ncc(Cl)c1C(O)c1cccc2c1NCC2
InChIInChI=1S/C13H14ClN3O/c1-17-12(10(14)7-16-17)13(18)9-4-2-3-8-5-6-15-11(8)9/h2-4,7,13,15,18H,5-6H2,1H3
InChIKeyQLJCMDPQNILSKT-UHFFFAOYSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol (CID 114638231) is (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol is Cn1ncc(Cl)c1C(O)c1cccc2c1NCC2.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol?
The InChIKey is QLJCMDPQNILSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-12(10(14)7-16-17)13(18)9-4-2-3-8-5-6-15-11(8)9/h2-4,7,13,15,18H,5-6H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol has a molecular weight of 263.73 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-indol-7-yl)methanol is sourced from PubChem (CID 114638231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).