(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C14H27N5O — CID 114657737

IUPAC(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CN(C)CCN1C
InChIInChI=1S/C14H27N5O/c1-5-6-19-14(12(20-4)9-16-19)13(15)11-10-17(2)7-8-18(11)3/h9,11,13H,5-8,10,15H2,1-4H3
InChIKeyUVGILXUIMFRREW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.55
Rot. Bonds5

About (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 114657737) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID114657737
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)C1CN(C)CCN1C
InChIInChI=1S/C14H27N5O/c1-5-6-19-14(12(20-4)9-16-19)13(15)11-10-17(2)7-8-18(11)3/h9,11,13H,5-8,10,15H2,1-4H3
InChIKeyUVGILXUIMFRREW-UHFFFAOYSA-N
XLogP0.55
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
(4-methoxy-1-propylpyrazol-5-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanamine
CID 105187091
(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105187165
2-(1,4-dimethylpiperazin-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114659615
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444711
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propylmorpholin-2-yl)methanamine
CID 114657813
1-(4-chloro-1-propylpyrazol-5-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 114659610
2-[5-[amino-(4-methylmorpholin-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114657181
1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635614
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 114657737) is (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)C1CN(C)CCN1C.
What is the InChIKey of (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is UVGILXUIMFRREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-6-19-14(12(20-4)9-16-19)13(15)11-10-17(2)7-8-18(11)3/h9,11,13H,5-8,10,15H2,1-4H3.
What are the key properties of (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 281.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpiperazin-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114657737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).