3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine

C10H20N4 — CID 130573982

IUPAC3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
SMILESCc1nn(C)c(C)c1NC(C)C(C)N
InChIInChI=1S/C10H20N4/c1-6(11)7(2)12-10-8(3)13-14(5)9(10)4/h6-7,12H,11H2,1-5H3
InChIKeyXNUBYUYOUQQXNG-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.18
Rot. Bonds3

About 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine

3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine (PubChem CID 130573982) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
PubChem CID130573982
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine
SMILESCc1nn(C)c(C)c1NC(C)C(C)N
InChIInChI=1S/C10H20N4/c1-6(11)7(2)12-10-8(3)13-14(5)9(10)4/h6-7,12H,11H2,1-5H3
InChIKeyXNUBYUYOUQQXNG-UHFFFAOYSA-N
XLogP1.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-pentan-2-ylpyrazol-4-amine
CID 43204532
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)amino]butanoic acid
CID 82539337
1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115927517
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 61252272
1,3,5-trimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]pyrazol-4-amine
CID 43204496
1,3,5-trimethyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrazol-4-amine
CID 43204472
1,3,5-trimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyrazol-4-amine
CID 115927529
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43768916
3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 60932577
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204509
N-(1-cyclopropylbutyl)-1,3,5-trimethylpyrazol-4-amine
CID 115927532

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine?
The IUPAC name of 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine (CID 130573982) is 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine?
The canonical SMILES for 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine is Cc1nn(C)c(C)c1NC(C)C(C)N.
What is the InChIKey of 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine?
The InChIKey is XNUBYUYOUQQXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-6(11)7(2)12-10-8(3)13-14(5)9(10)4/h6-7,12H,11H2,1-5H3.
What are the key properties of 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine?
3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3,5-trimethylpyrazol-4-yl)butane-2,3-diamine is sourced from PubChem (CID 130573982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).