3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide

C14H19N5OS — CID 70721579

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
SMILESCc1ncsc1CCC(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C14H19N5OS/c1-10-13(21-9-17-10)2-3-14(20)16-7-11-6-12-8-15-4-5-19(12)18-11/h6,9,15H,2-5,7-8H2,1H3,(H,16,20)
InChIKeyMXCICOQUCNXJJO-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.00
Rot. Bonds5

About 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide

3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide (PubChem CID 70721579) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
PubChem CID70721579
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide
SMILESCc1ncsc1CCC(=O)NCc1cc2n(n1)CCNC2
InChIInChI=1S/C14H19N5OS/c1-10-13(21-9-17-10)2-3-14(20)16-7-11-6-12-8-15-4-5-19(12)18-11/h6,9,15H,2-5,7-8H2,1H3,(H,16,20)
InChIKeyMXCICOQUCNXJJO-UHFFFAOYSA-N
XLogP1.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-3-(1,3-thiazol-4-yl)propan-1-one
CID 53623882
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
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,N-dimethyl-2-({[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 72845239
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
4-ethyl-2-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 74230817
3-(1-methyl-1H-pyrazol-5-yl)-N-({2-[(methylthio)methyl]-1,3-thiazol-4-yl}methyl)propanamide
CID 77095126
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 96573366
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 118767873

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide (CID 70721579) is 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide is Cc1ncsc1CCC(=O)NCc1cc2n(n1)CCNC2.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?
The InChIKey is MXCICOQUCNXJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-13(21-9-17-10)2-3-14(20)16-7-11-6-12-8-15-4-5-19(12)18-11/h6,9,15H,2-5,7-8H2,1H3,(H,16,20).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide has a molecular weight of 305.41 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 70721579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).