N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide

C14H20N4O2S — CID 30862073

IUPACN-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCCCNC(=O)Cn1nc2c(c1NC(=O)C1CC1)CSC2
InChIInChI=1S/C14H20N4O2S/c1-2-5-15-12(19)6-18-13(16-14(20)9-3-4-9)10-7-21-8-11(10)17-18/h9H,2-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyRLTHQKCMJBAOIL-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 30862073) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID30862073
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCCCNC(=O)Cn1nc2c(c1NC(=O)C1CC1)CSC2
InChIInChI=1S/C14H20N4O2S/c1-2-5-15-12(19)6-18-13(16-14(20)9-3-4-9)10-7-21-8-11(10)17-18/h9H,2-8H2,1H3,(H,15,19)(H,16,20)
InChIKeyRLTHQKCMJBAOIL-UHFFFAOYSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide (CID 30862073) is N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide is CCCNC(=O)Cn1nc2c(c1NC(=O)C1CC1)CSC2.
What is the InChIKey of N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is RLTHQKCMJBAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-2-5-15-12(19)6-18-13(16-14(20)9-3-4-9)10-7-21-8-11(10)17-18/h9H,2-8H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 308.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(propylamino)ethyl]-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 30862073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).