4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide

C14H14ClN3O3 — CID 5296270

IUPAC4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14ClN3O3/c1-2-18-8-10(15)13(17-18)14(19)16-9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,19)
InChIKeyPTLAQTLSCWEFCV-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.58
Rot. Bonds3

About 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide

4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide (PubChem CID 5296270) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide
PubChem CID5296270
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H14ClN3O3/c1-2-18-8-10(15)13(17-18)14(19)16-9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,19)
InChIKeyPTLAQTLSCWEFCV-UHFFFAOYSA-N
XLogP2.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 2815847
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
CID 5301257
4-chloro-2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
CID 6469392
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrazol-1-ylpropanamide
CID 24790929
1H-Pyrazole-5-carboxamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-4-nitro-
CID 832016
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 4464934
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 5295506
N-(1,3-benzodioxol-5-yl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
CID 6470895
N-(1,3-benzodioxol-5-yl)-2-methyl-3-pyrazolecarboxamide
CID 6470985

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide (CID 5296270) is 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is PTLAQTLSCWEFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-2-18-8-10(15)13(17-18)14(19)16-9-3-4-11-12(7-9)21-6-5-20-11/h3-4,7-8H,2,5-6H2,1H3,(H,16,19).
What are the key properties of 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide?
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 5296270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).