4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide

C14H14ClN3O — CID 6469501

IUPAC4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H14ClN3O/c1-18-13(12(15)8-16-18)14(19)17-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,17,19)
InChIKeyTVQZGPYLSRVVJF-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 6469501) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide
PubChem CID6469501
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C14H14ClN3O/c1-18-13(12(15)8-16-18)14(19)17-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,17,19)
InChIKeyTVQZGPYLSRVVJF-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084338
N-(2,3-dihydro-1H-inden-5-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4342282
4-chloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1511737
N-(3-{N-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)cyclopentanecarboxamide
CID 5431566
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
4-chloro-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-3-carboxamide
CID 1223574
2-[(4-Chloro-1-ethylpyrazol-3-yl)carbonylamino]benzamide
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-1-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 843823
N-(3,4-dimethylphenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1084335
4,5-dichloro-N-(3,4-dimethylphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 823293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide (CID 6469501) is 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is TVQZGPYLSRVVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-18-13(12(15)8-16-18)14(19)17-11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 6469501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).