N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

C16H20N4O2S — CID 47067299

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1C
InChIInChI=1S/C16H20N4O2S/c1-3-13-10(2)6-14(23-13)16(22)19-12-7-17-20(8-12)9-15(21)18-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCFZCVJAVFBUGQP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.35
Rot. Bonds6

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 47067299) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID47067299
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1C
InChIInChI=1S/C16H20N4O2S/c1-3-13-10(2)6-14(23-13)16(22)19-12-7-17-20(8-12)9-15(21)18-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCFZCVJAVFBUGQP-UHFFFAOYSA-N
XLogP2.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide (CID 47067299) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1C.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is CFZCVJAVFBUGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-13-10(2)6-14(23-13)16(22)19-12-7-17-20(8-12)9-15(21)18-11-4-5-11/h6-8,11H,3-5,9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 47067299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).