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

C15H21N5OS — CID 50973946

IUPACN,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cc2n(n1)CCN(C)C2
InChIInChI=1S/C15H21N5OS/c1-11-14(22-10-16-11)4-5-19(3)15(21)13-8-12-9-18(2)6-7-20(12)17-13/h8,10H,4-7,9H2,1-3H3
InChIKeyQLBKCHPPDSFULB-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.41
Rot. Bonds4

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

N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50973946) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50973946
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cc2n(n1)CCN(C)C2
InChIInChI=1S/C15H21N5OS/c1-11-14(22-10-16-11)4-5-19(3)15(21)13-8-12-9-18(2)6-7-20(12)17-13/h8,10H,4-7,9H2,1-3H3
InChIKeyQLBKCHPPDSFULB-UHFFFAOYSA-N
XLogP1.41
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50973946) is N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ncsc1CCN(C)C(=O)c1cc2n(n1)CCN(C)C2.
What is the InChIKey of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is QLBKCHPPDSFULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-11-14(22-10-16-11)4-5-19(3)15(21)13-8-12-9-18(2)6-7-20(12)17-13/h8,10H,4-7,9H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50973946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).