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

C18H18N4O2S — CID 118694794

IUPACN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc3c(c2)OC[C@H](N)C3)cc1-c1cccs1
InChIInChI=1S/C18H18N4O2S/c1-22-15(17-3-2-6-25-17)9-14(21-22)18(23)20-13-5-4-11-7-12(19)10-24-16(11)8-13/h2-6,8-9,12H,7,10,19H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyYNGPUVDTNILCCC-GFCCVEGCSA-N
MW354.44 g/mol
LogP2.66
Rot. Bonds3

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

N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 118694794) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID118694794
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc3c(c2)OC[C@H](N)C3)cc1-c1cccs1
InChIInChI=1S/C18H18N4O2S/c1-22-15(17-3-2-6-25-17)9-14(21-22)18(23)20-13-5-4-11-7-12(19)10-24-16(11)8-13/h2-6,8-9,12H,7,10,19H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyYNGPUVDTNILCCC-GFCCVEGCSA-N
XLogP2.66
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 118694794) is N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc3c(c2)OC[C@H](N)C3)cc1-c1cccs1.
What is the InChIKey of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is YNGPUVDTNILCCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-22-15(17-3-2-6-25-17)9-14(21-22)18(23)20-13-5-4-11-7-12(19)10-24-16(11)8-13/h2-6,8-9,12H,7,10,19H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 118694794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).