2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide

C15H18N4O — CID 60932180

IUPAC2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCc3ccccc32)cn1
InChIInChI=1S/C15H18N4O/c1-16-15(20)10-19-9-12(8-17-19)18-14-7-6-11-4-2-3-5-13(11)14/h2-5,8-9,14,18H,6-7,10H2,1H3,(H,16,20)
InChIKeyJLKVDEKMUFVGEQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds4

About 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide

2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 60932180) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID60932180
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCc3ccccc32)cn1
InChIInChI=1S/C15H18N4O/c1-16-15(20)10-19-9-12(8-17-19)18-14-7-6-11-4-2-3-5-13(11)14/h2-5,8-9,14,18H,6-7,10H2,1H3,(H,16,20)
InChIKeyJLKVDEKMUFVGEQ-UHFFFAOYSA-N
XLogP1.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 107149210
2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 102773495
2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
CID 103981186
N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745571
2-[4-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017465
N-[1-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
CID 42420524
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 79730983
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
2-[4-[(2-ethyl-2-methylcyclopentyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 131962116
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide (CID 60932180) is 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC2CCc3ccccc32)cn1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is JLKVDEKMUFVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-16-15(20)10-19-9-12(8-17-19)18-14-7-6-11-4-2-3-5-13(11)14/h2-5,8-9,14,18H,6-7,10H2,1H3,(H,16,20).
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 270.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 60932180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).