(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine

C10H19N3 — CID 93459109

IUPAC(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cnn(C)c1C
InChIInChI=1S/C10H19N3/c1-5-8(2)11-6-10-7-12-13(4)9(10)3/h7-8,11H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyXSJCJACJBSBIER-MRVPVSSYSA-N
MW181.28 g/mol
LogP1.62
Rot. Bonds4

About (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine

(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine (PubChem CID 93459109) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
PubChem CID93459109
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cnn(C)c1C
InChIInChI=1S/C10H19N3/c1-5-8(2)11-6-10-7-12-13(4)9(10)3/h7-8,11H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyXSJCJACJBSBIER-MRVPVSSYSA-N
XLogP1.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 115896749
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxybutan-2-amine
CID 79579267
N-[(1,5-dimethylpyrazol-4-yl)methyl]heptan-4-amine
CID 115896746
1-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 115896751
4-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]propyl]phenol
CID 103851578
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 79578576
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
CID 103851409
N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
CID 82528434
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 79578972
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613087

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine (CID 93459109) is (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine is CC[C@@H](C)NCc1cnn(C)c1C.
What is the InChIKey of (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is XSJCJACJBSBIER-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(2)11-6-10-7-12-13(4)9(10)3/h7-8,11H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine?
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 93459109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).