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

C16H23N5OS — CID 50950417

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCc1csc(CNC(=O)c2cc3n(n2)CCN(C(C)C)C3)n1
InChIInChI=1S/C16H23N5OS/c1-4-12-10-23-15(18-12)8-17-16(22)14-7-13-9-20(11(2)3)5-6-21(13)19-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,17,22)
InChIKeyHUWAAOCDHLFNPW-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.06
Rot. Bonds5

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

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50950417) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50950417
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCc1csc(CNC(=O)c2cc3n(n2)CCN(C(C)C)C3)n1
InChIInChI=1S/C16H23N5OS/c1-4-12-10-23-15(18-12)8-17-16(22)14-7-13-9-20(11(2)3)5-6-21(13)19-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,17,22)
InChIKeyHUWAAOCDHLFNPW-UHFFFAOYSA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-cyclopentyl-1-isobutyl-5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26146434
2,5-dimethyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrazole-3-carboxamide
CID 53611504
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779489
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 56779791
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 56779825
(2,5-Dimethylpyrazol-3-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 56819387
(4-methyl-1,3-thiazol-5-yl)-[2-(thiomorpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 56900590
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 70712275
3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
CID 70721579
N,N-dimethyl-2-({[(4-methyl-1,3-thiazol-5-yl)carbonyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 70732355
[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 72044129
(1,5-Dimethylpyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145417

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50950417) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is CCc1csc(CNC(=O)c2cc3n(n2)CCN(C(C)C)C3)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HUWAAOCDHLFNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-12-10-23-15(18-12)8-17-16(22)14-7-13-9-20(11(2)3)5-6-21(13)19-14/h7,10-11H,4-6,8-9H2,1-3H3,(H,17,22).
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50950417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).