N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C16H20N4O2 — CID 118694804

IUPACN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc3c(c2)OCC(N)C3)c1C
InChIInChI=1S/C16H20N4O2/c1-3-13-9(2)15(20-19-13)16(21)18-12-5-4-10-6-11(17)8-22-14(10)7-12/h4-5,7,11H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFJFPWZVOXCPDFX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds3

About N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 118694804) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID118694804
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2ccc3c(c2)OCC(N)C3)c1C
InChIInChI=1S/C16H20N4O2/c1-3-13-9(2)15(20-19-13)16(21)18-12-5-4-10-6-11(17)8-22-14(10)7-12/h4-5,7,11H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyFJFPWZVOXCPDFX-UHFFFAOYSA-N
XLogP1.80
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 49791181
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CID 49792140
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CID 49795304
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CID 118473396
CID 118694726
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CID 46942555

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 118694804) is N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2ccc3c(c2)OCC(N)C3)c1C.
What is the InChIKey of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is FJFPWZVOXCPDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-13-9(2)15(20-19-13)16(21)18-12-5-4-10-6-11(17)8-22-14(10)7-12/h4-5,7,11H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118694804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).