4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine

C8H15N3 — CID 63047637

IUPAC4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(NC(C)C)c1C
InChIInChI=1S/C8H15N3/c1-5(2)9-8-6(3)7(4)10-11-8/h5H,1-4H3,(H2,9,10,11)
InChIKeyUWBQUXLZJTUMOH-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.85
Rot. Bonds2

About 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine

4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 63047637) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine
PubChem CID63047637
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(NC(C)C)c1C
InChIInChI=1S/C8H15N3/c1-5(2)9-8-6(3)7(4)10-11-8/h5H,1-4H3,(H2,9,10,11)
InChIKeyUWBQUXLZJTUMOH-UHFFFAOYSA-N
XLogP1.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine (CID 63047637) is 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine is Cc1[nH]nc(NC(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is UWBQUXLZJTUMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5(2)9-8-6(3)7(4)10-11-8/h5H,1-4H3,(H2,9,10,11).
What are the key properties of 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine?
4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 153.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63047637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).