N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine

C16H26N6 — CID 97405360

IUPACN,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine
SMILESCC(C)n1nc(CN(C)C)c2c1CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C16H26N6/c1-12(2)22-16-11-21(8-13-6-17-20(5)7-13)9-14(16)15(18-22)10-19(3)4/h6-7,12H,8-11H2,1-5H3
InChIKeyCVDFSFVZUPIRKI-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.77
Rot. Bonds5

About N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine

N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine (PubChem CID 97405360) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine
PubChem CID97405360
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine
SMILESCC(C)n1nc(CN(C)C)c2c1CN(Cc1cnn(C)c1)C2
InChIInChI=1S/C16H26N6/c1-12(2)22-16-11-21(8-13-6-17-20(5)7-13)9-14(16)15(18-22)10-19(3)4/h6-7,12H,8-11H2,1-5H3
InChIKeyCVDFSFVZUPIRKI-UHFFFAOYSA-N
XLogP1.77
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methoxymethyl)-1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405714
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
1-(4,5-dimethyl-1-propan-2-ylpyrazol-3-yl)-N,N-dimethylmethanamine
CID 150443374
N,N-dimethyl-5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 134075984
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
7-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71932890
N-methyl-2-[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105347517
(1R)-1-[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanol
CID 55183379
N,N-dimethyl-1-[4-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]phenyl]methanamine
CID 95896839

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine (CID 97405360) is N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine is CC(C)n1nc(CN(C)C)c2c1CN(Cc1cnn(C)c1)C2.
What is the InChIKey of N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine?
The InChIKey is CVDFSFVZUPIRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-12(2)22-16-11-21(8-13-6-17-20(5)7-13)9-14(16)15(18-22)10-19(3)4/h6-7,12H,8-11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine?
N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine has a molecular weight of 302.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methanamine is sourced from PubChem (CID 97405360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).