(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone

C13H12ClN3O — CID 660340

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H12ClN3O/c1-16-12(10(14)8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3
InChIKeyUZRXHOCXKVNHOM-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.28
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 660340) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID660340
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCc2ccccc21
InChIInChI=1S/C13H12ClN3O/c1-16-12(10(14)8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3
InChIKeyUZRXHOCXKVNHOM-UHFFFAOYSA-N
XLogP2.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]indoline
CID 844287
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
(4-Chloro-2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 6464474
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 6469501
1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]indoline
CID 725789
4-chloro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-3-carboxamide
CID 1223574
1-[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]indoline
CID 1225706
1-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1,2,3,4-tetrahydroquinoline
CID 1225806
N-[2-(aminocarbonyl)phenyl]-4-chloro-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511748
4-chloro-1-ethyl-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 2941510
4-chloro-1-methyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 3421069
4-chloro-2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 843823

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone (CID 660340) is (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone is Cn1ncc(Cl)c1C(=O)N1CCc2ccccc21.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is UZRXHOCXKVNHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-16-12(10(14)8-15-16)13(18)17-7-6-9-4-2-3-5-11(9)17/h2-5,8H,6-7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 261.71 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 660340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).