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

C16H26N6 — CID 56912432

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cc3n(n2)CCNC3)n1
InChIInChI=1S/C16H26N6/c1-13-9-14(2)21(18-13)7-4-6-20(3)12-15-10-16-11-17-5-8-22(16)19-15/h9-10,17H,4-8,11-12H2,1-3H3
InChIKeyCYQMTXHXMUTAMC-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.32
Rot. Bonds6

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

3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine (PubChem CID 56912432) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine
PubChem CID56912432
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine
SMILESCc1cc(C)n(CCCN(C)Cc2cc3n(n2)CCNC3)n1
InChIInChI=1S/C16H26N6/c1-13-9-14(2)21(18-13)7-4-6-20(3)12-15-10-16-11-17-5-8-22(16)19-15/h9-10,17H,4-8,11-12H2,1-3H3
InChIKeyCYQMTXHXMUTAMC-UHFFFAOYSA-N
XLogP1.32
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine (CID 56912432) is 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine is Cc1cc(C)n(CCCN(C)Cc2cc3n(n2)CCNC3)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine?
The InChIKey is CYQMTXHXMUTAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-13-9-14(2)21(18-13)7-4-6-20(3)12-15-10-16-11-17-5-8-22(16)19-15/h9-10,17H,4-8,11-12H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine has a molecular weight of 302.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 56912432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).