4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine

C14H19N5 — CID 68700957

IUPAC4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
SMILESCN1CCN(c2cccc(-c3cn[nH]c3N)c2)CC1
InChIInChI=1S/C14H19N5/c1-18-5-7-19(8-6-18)12-4-2-3-11(9-12)13-10-16-17-14(13)15/h2-4,9-10H,5-8H2,1H3,(H3,15,16,17)
InChIKeyOHYJKSRUTDPEEB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.41
Rot. Bonds2

About 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine

4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine (PubChem CID 68700957) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
PubChem CID68700957
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine
SMILESCN1CCN(c2cccc(-c3cn[nH]c3N)c2)CC1
InChIInChI=1S/C14H19N5/c1-18-5-7-19(8-6-18)12-4-2-3-11(9-12)13-10-16-17-14(13)15/h2-4,9-10H,5-8H2,1H3,(H3,15,16,17)
InChIKeyOHYJKSRUTDPEEB-UHFFFAOYSA-N
XLogP1.41
TPSA61.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-morpholin-4-ylphenyl)-1H-pyrazol-5-amine
CID 68941490
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
1-methyl-4-[3-(1-methylpyrazol-4-yl)phenyl]piperazine
CID 137468196
1-methyl-4-[3-(4-methylthiophen-3-yl)phenyl]piperazine
CID 141166517
1-methyl-4-[3-(2-methyl-6-propan-2-yl-3-pyridinyl)phenyl]piperazine
CID 90364267
3-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-1H-imidazol-2-one
CID 117354732
1-[3-(2,6-dichlorophenyl)phenyl]-4-methylpiperazine
CID 174707727
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
4-(3-pentan-3-ylphenyl)-1H-pyrazol-5-amine
CID 117331143
4-[3-(4-methylpiperazin-1-yl)phenyl]-1,3-oxazole
CID 176859206
3-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]aniline
CID 175775411

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine (CID 68700957) is 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine is CN1CCN(c2cccc(-c3cn[nH]c3N)c2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is OHYJKSRUTDPEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18-5-7-19(8-6-18)12-4-2-3-11(9-12)13-10-16-17-14(13)15/h2-4,9-10H,5-8H2,1H3,(H3,15,16,17).
What are the key properties of 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine?
4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 257.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 68700957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).