N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide

C16H20N4O3 — CID 118694841

IUPACN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCOc1n[nH]c(C(=O)Nc2ccc3c(c2)OC[C@H](N)C3)c1C
InChIInChI=1S/C16H20N4O3/c1-3-22-16-9(2)14(19-20-16)15(21)18-12-5-4-10-6-11(17)8-23-13(10)7-12/h4-5,7,11H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyPDRXDGWECVTTEH-LLVKDONJSA-N
MW316.36 g/mol
LogP1.63
Rot. Bonds4

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

N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide (PubChem CID 118694841) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide
PubChem CID118694841
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide
SMILESCCOc1n[nH]c(C(=O)Nc2ccc3c(c2)OC[C@H](N)C3)c1C
InChIInChI=1S/C16H20N4O3/c1-3-22-16-9(2)14(19-20-16)15(21)18-12-5-4-10-6-11(17)8-23-13(10)7-12/h4-5,7,11H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20)/t11-/m1/s1
InChIKeyPDRXDGWECVTTEH-LLVKDONJSA-N
XLogP1.63
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 118694803
CID 44267735
CID 44267735
CID 72006754
CID 72006754
CID 134141022
CID 134141022
CID 177641184
CID 177641184
CID 22516809
CID 22516809
CID 20954255
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CID 20954196
CID 20954196

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide (CID 118694841) is N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide is CCOc1n[nH]c(C(=O)Nc2ccc3c(c2)OC[C@H](N)C3)c1C.
What is the InChIKey of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is PDRXDGWECVTTEH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-22-16-9(2)14(19-20-16)15(21)18-12-5-4-10-6-11(17)8-23-13(10)7-12/h4-5,7,11H,3,6,8,17H2,1-2H3,(H,18,21)(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide?
N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-3-ethoxy-4-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118694841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).