N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine

C10H20N4 — CID 103569049

IUPACN'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
SMILESCc1cc(NCCC(C)CN)n(C)n1
InChIInChI=1S/C10H20N4/c1-8(7-11)4-5-12-10-6-9(2)13-14(10)3/h6,8,12H,4-5,7,11H2,1-3H3
InChIKeyMUADABJTESCIDR-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.13
Rot. Bonds5

About N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine

N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine (PubChem CID 103569049) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
PubChem CID103569049
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
SMILESCc1cc(NCCC(C)CN)n(C)n1
InChIInChI=1S/C10H20N4/c1-8(7-11)4-5-12-10-6-9(2)13-14(10)3/h6,8,12H,4-5,7,11H2,1-3H3
InChIKeyMUADABJTESCIDR-UHFFFAOYSA-N
XLogP1.13
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 103568996
(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
4-(2,5-dimethylpyrazol-3-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018593
N'-(2,5-dimethylpyrazol-3-yl)-2,2-diethylpropane-1,3-diamine
CID 103569155
2,5-dimethyl-N-[(2S)-2-phenylpropyl]pyrazol-3-amine
CID 129403163
1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
CID 103568986
3-[(2,5-dimethylpyrazol-3-yl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202382
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
2,5-dimethyl-N-(2-piperidin-4-ylethyl)pyrazol-3-amine
CID 103568968
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103568966
N-[(4-amino-3,5-dichlorophenyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103569108
N-[(1-fluorocyclopropyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 130610447

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine?
The IUPAC name of N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine (CID 103569049) is N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine is Cc1cc(NCCC(C)CN)n(C)n1.
What is the InChIKey of N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine?
The InChIKey is MUADABJTESCIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(7-11)4-5-12-10-6-9(2)13-14(10)3/h6,8,12H,4-5,7,11H2,1-3H3.
What are the key properties of N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine?
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 103569049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).