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

C10H20N4 — CID 130523879

IUPAC(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NC[C@H](N)C(C)C)nn1C
InChIInChI=1S/C10H20N4/c1-7(2)9(11)6-12-10-5-8(3)14(4)13-10/h5,7,9H,6,11H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKeyOBMBWZSMPXGULY-VIFPVBQESA-N
MW196.30 g/mol
LogP1.12
Rot. Bonds4

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

(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine (PubChem CID 130523879) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
PubChem CID130523879
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
SMILESCc1cc(NC[C@H](N)C(C)C)nn1C
InChIInChI=1S/C10H20N4/c1-7(2)9(11)6-12-10-5-8(3)14(4)13-10/h5,7,9H,6,11H2,1-4H3,(H,12,13)/t9-/m0/s1
InChIKeyOBMBWZSMPXGULY-VIFPVBQESA-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

(2S)-1-N-(2,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine
CID 130523401
3-amino-N-(1,5-dimethylpyrazol-3-yl)-4,4-dimethylpentanamide
CID 114253602
1-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114253550
2-[(1,5-dimethylpyrazol-3-yl)amino]propan-1-ol
CID 130502735
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167521
1-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869545
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967946
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N-heptan-4-yl-1,5-dimethylpyrazol-3-amine
CID 115922057
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine (CID 130523879) is (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine is Cc1cc(NC[C@H](N)C(C)C)nn1C.
What is the InChIKey of (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
The InChIKey is OBMBWZSMPXGULY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N4/c1-7(2)9(11)6-12-10-5-8(3)14(4)13-10/h5,7,9H,6,11H2,1-4H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine?
(2R)-1-N-(1,5-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 (2R)-1-N-(1,5-dimethylpyrazol-3-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 130523879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).