N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine

C12H19N5 — CID 19626341

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1ccc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C12H19N5/c1-4-6-17-7-5-12(15-17)13-8-11-9-16(3)14-10(11)2/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)
InChIKeyZSGIWFWRXZODQA-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.95
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine (PubChem CID 19626341) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
PubChem CID19626341
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
SMILESCCCn1ccc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C12H19N5/c1-4-6-17-7-5-12(15-17)13-8-11-9-16(3)14-10(11)2/h5,7,9H,4,6,8H2,1-3H3,(H,13,15)
InChIKeyZSGIWFWRXZODQA-UHFFFAOYSA-N
XLogP1.95
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine (CID 19626341) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine is CCCn1ccc(NCc2cn(C)nc2C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine?
The InChIKey is ZSGIWFWRXZODQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-6-17-7-5-12(15-17)13-8-11-9-16(3)14-10(11)2/h5,7,9H,4,6,8H2,1-3H3,(H,13,15).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine has a molecular weight of 233.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine is sourced from PubChem (CID 19626341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).