N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

C16H19N3OS — CID 22517068

IUPACN,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2
InChIInChI=1S/C16H19N3OS/c1-4-19(5-2)16(20)14-12-10-21-13-9-7-6-8-11(13)15(12)18(3)17-14/h6-9H,4-5,10H2,1-3H3
InChIKeySUINOFAKHHJEFF-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.17
Rot. Bonds3

About N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide

N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 22517068) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID22517068
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2
InChIInChI=1S/C16H19N3OS/c1-4-19(5-2)16(20)14-12-10-21-13-9-7-6-8-11(13)15(12)18(3)17-14/h6-9H,4-5,10H2,1-3H3
InChIKeySUINOFAKHHJEFF-UHFFFAOYSA-N
XLogP3.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide (CID 22517068) is N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is CCN(CC)C(=O)c1nn(C)c2c1CSc1ccccc1-2.
What is the InChIKey of N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is SUINOFAKHHJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-19(5-2)16(20)14-12-10-21-13-9-7-6-8-11(13)15(12)18(3)17-14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide?
N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 22517068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).