(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine

C8H15N3 — CID 40599781

IUPAC(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)cc1C[C@H](C)N
InChIInChI=1S/C8H15N3/c1-6(9)4-8-5-11(3)10-7(8)2/h5-6H,4,9H2,1-3H3/t6-/m0/s1
InChIKeySWADLRHZKGODQE-LURJTMIESA-N
MW153.23 g/mol
LogP0.62
Rot. Bonds2

About (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine

(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine (PubChem CID 40599781) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
PubChem CID40599781
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)cc1C[C@H](C)N
InChIInChI=1S/C8H15N3/c1-6(9)4-8-5-11(3)10-7(8)2/h5-6H,4,9H2,1-3H3/t6-/m0/s1
InChIKeySWADLRHZKGODQE-LURJTMIESA-N
XLogP0.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)propan-2-amine
CID 19585896
1-(1,3-dimethylpyrazol-4-yl)butan-2-amine;hydrochloride
CID 170889539
4-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 127002490
ethyl 2-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 66518191
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)propan-1-ol
CID 83089118
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
(2S)-3-(1,3-dimethylpyrazol-4-yl)-2-hydroxypropanoic acid
CID 125425002
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-bromo-1-(1,3-dimethylpyrazol-4-yl)-4,4-dimethylpentan-3-one
CID 102807373
1-(4-bromo-1-methylpyrazol-3-yl)propan-2-amine
CID 83887921
2-(aminomethyl)-3-(1,3-dimethylpyrazol-4-yl)-N-propylpropanamide
CID 83090697
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105438423

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine (CID 40599781) is (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine is Cc1nn(C)cc1C[C@H](C)N.
What is the InChIKey of (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is SWADLRHZKGODQE-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)4-8-5-11(3)10-7(8)2/h5-6H,4,9H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine?
(2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,3-dimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 40599781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).