1,3-dimethyl-N-propylpyrazol-4-amine

C8H15N3 — CID 19777633

IUPAC1,3-dimethyl-N-propylpyrazol-4-amine
SMILESCCCNc1cn(C)nc1C
InChIInChI=1S/C8H15N3/c1-4-5-9-8-6-11(3)10-7(8)2/h6,9H,4-5H2,1-3H3
InChIKeyINOOWITZSCCXIJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.55
Rot. Bonds3

About 1,3-dimethyl-N-propylpyrazol-4-amine

1,3-dimethyl-N-propylpyrazol-4-amine (PubChem CID 19777633) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,3-dimethyl-N-propylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-propylpyrazol-4-amine
PubChem CID19777633
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1,3-dimethyl-N-propylpyrazol-4-amine
SMILESCCCNc1cn(C)nc1C
InChIInChI=1S/C8H15N3/c1-4-5-9-8-6-11(3)10-7(8)2/h6,9H,4-5H2,1-3H3
InChIKeyINOOWITZSCCXIJ-UHFFFAOYSA-N
XLogP1.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-propylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-propylpyrazol-4-amine (CID 19777633) is 1,3-dimethyl-N-propylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-propylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-propylpyrazol-4-amine is CCCNc1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-N-propylpyrazol-4-amine?
The InChIKey is INOOWITZSCCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-5-9-8-6-11(3)10-7(8)2/h6,9H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-propylpyrazol-4-amine?
1,3-dimethyl-N-propylpyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-propylpyrazol-4-amine is sourced from PubChem (CID 19777633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).