1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H24N4 — CID 43644920

IUPAC1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1n[nH]c(C)c1CNCC(C)(C)N(C)C
InChIInChI=1S/C12H24N4/c1-9-11(10(2)15-14-9)7-13-8-12(3,4)16(5)6/h13H,7-8H2,1-6H3,(H,14,15)
InChIKeyUACQNAMHURVIGM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.46
Rot. Bonds5

About 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43644920) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43644920
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCc1n[nH]c(C)c1CNCC(C)(C)N(C)C
InChIInChI=1S/C12H24N4/c1-9-11(10(2)15-14-9)7-13-8-12(3,4)16(5)6/h13H,7-8H2,1-6H3,(H,14,15)
InChIKeyUACQNAMHURVIGM-UHFFFAOYSA-N
XLogP1.46
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941325
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]-2-methylbutan-1-ol
CID 115751874
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
1-(dimethylamino)-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 115671204
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylpentan-3-amine
CID 106328145
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43644728
1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43645008
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N'-pyrimidin-2-ylethane-1,2-diamine
CID 86808956
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
CID 64550985
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
CID 83109596
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 103631629

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43644920) is 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is Cc1n[nH]c(C)c1CNCC(C)(C)N(C)C.
What is the InChIKey of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is UACQNAMHURVIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-9-11(10(2)15-14-9)7-13-8-12(3,4)16(5)6/h13H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43644920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).