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

C15H18N4O2 — CID 107149210

IUPAC2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2COCc3ccccc32)cn1
InChIInChI=1S/C15H18N4O2/c1-16-15(20)8-19-7-12(6-17-19)18-14-10-21-9-11-4-2-3-5-13(11)14/h2-7,14,18H,8-10H2,1H3,(H,16,20)
InChIKeyNNAZPRDGERAODT-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.31
Rot. Bonds4

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

2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide (PubChem CID 107149210) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide
PubChem CID107149210
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2COCc3ccccc32)cn1
InChIInChI=1S/C15H18N4O2/c1-16-15(20)8-19-7-12(6-17-19)18-14-10-21-9-11-4-2-3-5-13(11)14/h2-7,14,18H,8-10H2,1H3,(H,16,20)
InChIKeyNNAZPRDGERAODT-UHFFFAOYSA-N
XLogP1.31
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-dihydro-1H-inden-1-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932180
2-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 102773495
N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
4-(3,4-dihydro-1H-isochromen-4-ylamino)benzoic acid
CID 107148944
N-(2-hydroxyethyl)-2-[4-[[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]amino]pyrazol-1-yl]acetamide
CID 99782204
N-(4-tert-butylphenyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107148755
2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
CID 103981186
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
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-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932315
3-(3,4-dihydro-1H-isochromen-4-ylamino)-4-methylbenzoic acid
CID 107149095

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide (CID 107149210) is 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC2COCc3ccccc32)cn1.
What is the InChIKey of 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide?
The InChIKey is NNAZPRDGERAODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-15(20)8-19-7-12(6-17-19)18-14-10-21-9-11-4-2-3-5-13(11)14/h2-7,14,18H,8-10H2,1H3,(H,16,20).
What are the key properties of 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide?
2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide has a molecular weight of 286.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-1H-isochromen-4-ylamino)pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 107149210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).