N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C19H25N3O3 — CID 125433778

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(CC(C)C)[nH]n1)CC2
InChIInChI=1S/C19H25N3O3/c1-11(2)7-13-9-16(22-21-13)19(23)20-15-6-5-12-8-17(24-3)18(25-4)10-14(12)15/h8-11,15H,5-7H2,1-4H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyKNNDQQKXYMXSLY-HNNXBMFYSA-N
MW343.43 g/mol
LogP3.04
Rot. Bonds6

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 125433778) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID125433778
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(CC(C)C)[nH]n1)CC2
InChIInChI=1S/C19H25N3O3/c1-11(2)7-13-9-16(22-21-13)19(23)20-15-6-5-12-8-17(24-3)18(25-4)10-14(12)15/h8-11,15H,5-7H2,1-4H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyKNNDQQKXYMXSLY-HNNXBMFYSA-N
XLogP3.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 125431572
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 125431006
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 125432821
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47380214
methyl 4-methyl-1-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981570
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-1H-indole-2-carboxamide
CID 125431301
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 125432017

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 125433778) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is COc1cc2c(cc1OC)[C@@H](NC(=O)c1cc(CC(C)C)[nH]n1)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is KNNDQQKXYMXSLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-11(2)7-13-9-16(22-21-13)19(23)20-15-6-5-12-8-17(24-3)18(25-4)10-14(12)15/h8-11,15H,5-7H2,1-4H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 125433778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).