2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine

C15H19ClN4 — CID 114663397

IUPAC2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C1Cc2ccccc2N1
InChIInChI=1S/C15H19ClN4/c1-19(2)7-8-20-15(12(16)10-17-20)14-9-11-5-3-4-6-13(11)18-14/h3-6,10,14,18H,7-9H2,1-2H3
InChIKeyJYZHMNFPOOURBS-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114663397) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114663397
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Cl)c1C1Cc2ccccc2N1
InChIInChI=1S/C15H19ClN4/c1-19(2)7-8-20-15(12(16)10-17-20)14-9-11-5-3-4-6-13(11)18-14/h3-6,10,14,18H,7-9H2,1-2H3
InChIKeyJYZHMNFPOOURBS-UHFFFAOYSA-N
XLogP2.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,3-dihydro-1H-indol-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114663394
2-[4-bromo-5-(1,2,3,4-tetrahydroquinolin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114663413
2-(4-chloro-5-piperidin-2-ylpyrazol-1-yl)-N,N-dimethylethanamine
CID 114663137
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-methylcyclopentan-1-amine
CID 114664092
2-[5-[2-(aminomethyl)cyclopentyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114666556
2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662301
2-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662296
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
2-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-phenylethanamine
CID 114666392
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-cyclopentylpropan-1-ol
CID 115834359
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-1-cyclopropylpropan-1-ol
CID 114664997
2-[5-[amino-(2-chlorophenyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 114649283

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 114663397) is 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Cl)c1C1Cc2ccccc2N1.
What is the InChIKey of 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is JYZHMNFPOOURBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-19(2)7-8-20-15(12(16)10-17-20)14-9-11-5-3-4-6-13(11)18-14/h3-6,10,14,18H,7-9H2,1-2H3.
What are the key properties of 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 290.80 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2,3-dihydro-1H-indol-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114663397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).