5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C17H23N5O2S — CID 50973019

IUPAC5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCC(NC(=O)c1cc2n(n1)CCN(C(C)=O)C2)c1nc(C)c(C)s1
InChIInChI=1S/C17H23N5O2S/c1-5-14(17-18-10(2)11(3)25-17)19-16(24)15-8-13-9-21(12(4)23)6-7-22(13)20-15/h8,14H,5-7,9H2,1-4H3,(H,19,24)
InChIKeyAFJCZFJEVTXNSS-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.20
Rot. Bonds4

About 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50973019) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50973019
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCC(NC(=O)c1cc2n(n1)CCN(C(C)=O)C2)c1nc(C)c(C)s1
InChIInChI=1S/C17H23N5O2S/c1-5-14(17-18-10(2)11(3)25-17)19-16(24)15-8-13-9-21(12(4)23)6-7-22(13)20-15/h8,14H,5-7,9H2,1-4H3,(H,19,24)
InChIKeyAFJCZFJEVTXNSS-UHFFFAOYSA-N
XLogP2.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50973019) is 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CCC(NC(=O)c1cc2n(n1)CCN(C(C)=O)C2)c1nc(C)c(C)s1.
What is the InChIKey of 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is AFJCZFJEVTXNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-5-14(17-18-10(2)11(3)25-17)19-16(24)15-8-13-9-21(12(4)23)6-7-22(13)20-15/h8,14H,5-7,9H2,1-4H3,(H,19,24).
What are the key properties of 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50973019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).