(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone

C15H20N6OS — CID 134078704

IUPAC(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3c2CN(Cc2nccs2)C3)CC1
InChIInChI=1S/C15H20N6OS/c1-19-3-5-21(6-4-19)15(22)14-11-8-20(9-12(11)17-18-14)10-13-16-2-7-23-13/h2,7H,3-6,8-10H2,1H3,(H,17,18)
InChIKeyIFJPGPQYMFXHFQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.77
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone

(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone (PubChem CID 134078704) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
PubChem CID134078704
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3c2CN(Cc2nccs2)C3)CC1
InChIInChI=1S/C15H20N6OS/c1-19-3-5-21(6-4-19)15(22)14-11-8-20(9-12(11)17-18-14)10-13-16-2-7-23-13/h2,7H,3-6,8-10H2,1H3,(H,17,18)
InChIKeyIFJPGPQYMFXHFQ-UHFFFAOYSA-N
XLogP0.77
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-(1,3-thiazol-2-yl)piperidine
CID 45176959
2-[1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-pyrrolidinyl]-1,3-thiazole
CID 45188891
N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97381235
(4-Methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 97388961
N,N-dimethyl-6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 97388981
(4-Methylpiperazin-1-yl)-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97389001
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461840
Morpholin-4-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
CID 97461908
N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743183
Pyrrolidin-1-yl-[6-(1,3-thiazol-2-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone;2,2,2-trifluoroacetic acid
CID 118744060
N-(1,3-thiazol-5-ylmethyl)-N-[2-(thiolan-3-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130313302

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone (CID 134078704) is (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone is CN1CCN(C(=O)c2n[nH]c3c2CN(Cc2nccs2)C3)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
The InChIKey is IFJPGPQYMFXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-19-3-5-21(6-4-19)15(22)14-11-8-20(9-12(11)17-18-14)10-13-16-2-7-23-13/h2,7H,3-6,8-10H2,1H3,(H,17,18).
What are the key properties of (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(1,3-thiazol-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 134078704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).