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

C17H24N6O2S — CID 72845239

IUPACN,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1ncsc1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C17H24N6O2S/c1-12-15(26-11-19-12)4-5-16(24)18-9-13-8-14-10-22(17(25)21(2)3)6-7-23(14)20-13/h8,11H,4-7,9-10H2,1-3H3,(H,18,24)
InChIKeyINQDCTGFCMHFPT-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.39
Rot. Bonds5

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

N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 72845239) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID72845239
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCc1ncsc1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C17H24N6O2S/c1-12-15(26-11-19-12)4-5-16(24)18-9-13-8-14-10-22(17(25)21(2)3)6-7-23(14)20-13/h8,11H,4-7,9-10H2,1-3H3,(H,18,24)
InChIKeyINQDCTGFCMHFPT-UHFFFAOYSA-N
XLogP1.39
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methyl-1,3-thiazol-5-yl)-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]propanamide
CID 70707572
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
5-[(4-Methyl-1,3-thiazol-5-yl)methyl]-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70747805
N-cyclopropyl-3-(5-{[2-(methylamino)-1,3-thiazol-4-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70723173
N-isopropyl-3-{5-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72925446
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 96573366
5-acetyl-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50973019
5-acetyl-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50973985
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53584029
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CID 53605795
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 56778992

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 72845239) is N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is Cc1ncsc1CCC(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is INQDCTGFCMHFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-12-15(26-11-19-12)4-5-16(24)18-9-13-8-14-10-22(17(25)21(2)3)6-7-23(14)20-13/h8,11H,4-7,9-10H2,1-3H3,(H,18,24).
What are the key properties of N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-(4-methyl-1,3-thiazol-5-yl)propanoylamino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 72845239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).