N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

C21H21N3O3 — CID 11002986

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-18-8-7-15(11-19(18)27-2)17-12-20(24-23-17)22-21(25)16-9-13-5-3-4-6-14(13)10-16/h3-8,11-12,16H,9-10H2,1-2H3,(H2,22,23,24,25)
InChIKeyDFCTUBFNWHKABO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.45
Rot. Bonds5

About N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 11002986) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID11002986
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-18-8-7-15(11-19(18)27-2)17-12-20(24-23-17)22-21(25)16-9-13-5-3-4-6-14(13)10-16/h3-8,11-12,16H,9-10H2,1-2H3,(H2,22,23,24,25)
InChIKeyDFCTUBFNWHKABO-UHFFFAOYSA-N
XLogP3.45
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 11002986) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is DFCTUBFNWHKABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-8-7-15(11-19(18)27-2)17-12-20(24-23-17)22-21(25)16-9-13-5-3-4-6-14(13)10-16/h3-8,11-12,16H,9-10H2,1-2H3,(H2,22,23,24,25).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 11002986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).