N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C14H16N4O2S — CID 95134823

IUPACN-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCO[C@@H](CNC(=O)c1cnn2ccn(C)c12)c1cccs1
InChIInChI=1S/C14H16N4O2S/c1-17-5-6-18-14(17)10(8-16-18)13(19)15-9-11(20-2)12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyVCBABABIOTXPQN-NSHDSACASA-N
MW304.38 g/mol
LogP1.85
Rot. Bonds5

About N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 95134823) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID95134823
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCO[C@@H](CNC(=O)c1cnn2ccn(C)c12)c1cccs1
InChIInChI=1S/C14H16N4O2S/c1-17-5-6-18-14(17)10(8-16-18)13(19)15-9-11(20-2)12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyVCBABABIOTXPQN-NSHDSACASA-N
XLogP1.85
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 95134823) is N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CO[C@@H](CNC(=O)c1cnn2ccn(C)c12)c1cccs1.
What is the InChIKey of N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is VCBABABIOTXPQN-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-17-5-6-18-14(17)10(8-16-18)13(19)15-9-11(20-2)12-4-3-7-21-12/h3-8,11H,9H2,1-2H3,(H,15,19)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methoxy-2-thiophen-2-ylethyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 95134823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).