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

C10H20N4 — CID 130523401

IUPAC(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NC[C@@H](N)C(C)C)n(C)n1
InChIInChI=1S/C10H20N4/c1-7(2)9(11)6-12-10-5-8(3)13-14(10)4/h5,7,9,12H,6,11H2,1-4H3/t9-/m1/s1
InChIKeyOMHJMWGDXHHADV-SECBINFHSA-N
MW196.30 g/mol
LogP1.12
Rot. Bonds4

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

(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine (PubChem CID 130523401) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
PubChem CID130523401
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NC[C@@H](N)C(C)C)n(C)n1
InChIInChI=1S/C10H20N4/c1-7(2)9(11)6-12-10-5-8(3)13-14(10)4/h5,7,9,12H,6,11H2,1-4H3/t9-/m1/s1
InChIKeyOMHJMWGDXHHADV-SECBINFHSA-N
XLogP1.12
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2,5-dimethylpyrazol-3-yl)-3-methoxypropane-1,2-diamine
CID 103568986
(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523879
2,5-dimethyl-N-[(2S)-2-phenylpropyl]pyrazol-3-amine
CID 129403163
N'-(2,5-dimethylpyrazol-3-yl)-2-methylbutane-1,4-diamine
CID 103569049
1-N-(2,5-dimethylpyrazol-3-yl)-5,5-dimethylhexane-1,3-diamine
CID 103568996
4-amino-N-(2,5-dimethylpyrazol-3-yl)pentanamide;hydrochloride
CID 120558953
N-[(3,5-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126967917
(2S)-2-amino-N-(2,5-dimethylpyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119680179
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylpyrazol-3-amine
CID 103568966
N'-(2,5-dimethylpyrazol-3-yl)-2,2-diethylpropane-1,3-diamine
CID 103569155
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 (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine (CID 130523401) is (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine is Cc1cc(NC[C@@H](N)C(C)C)n(C)n1.
What is the InChIKey of (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
The InChIKey is OMHJMWGDXHHADV-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N4/c1-7(2)9(11)6-12-10-5-8(3)13-14(10)4/h5,7,9,12H,6,11H2,1-4H3/t9-/m1/s1.
What are the key properties of (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine has a molecular weight of 196.30 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 130523401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).