4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine

C16H21ClN4 — CID 117490119

IUPAC4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCN1CCC(c2ccc(-c3cnn(C)c3N)cc2Cl)CC1
InChIInChI=1S/C16H21ClN4/c1-20-7-5-11(6-8-20)13-4-3-12(9-15(13)17)14-10-19-21(2)16(14)18/h3-4,9-11H,5-8,18H2,1-2H3
InChIKeyNUAVCHKWWNUBPE-UHFFFAOYSA-N
MW304.83 g/mol
LogP3.13
Rot. Bonds2

About 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine

4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117490119) has the molecular formula C16H21ClN4 and a molecular weight of 304.83 g/mol. Its IUPAC name is 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117490119
Molecular FormulaC16H21ClN4
Molecular Weight304.83 g/mol
Exact Mass304.15
IUPAC Name4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCN1CCC(c2ccc(-c3cnn(C)c3N)cc2Cl)CC1
InChIInChI=1S/C16H21ClN4/c1-20-7-5-11(6-8-20)13-4-3-12(9-15(13)17)14-10-19-21(2)16(14)18/h3-4,9-11H,5-8,18H2,1-2H3
InChIKeyNUAVCHKWWNUBPE-UHFFFAOYSA-N
XLogP3.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine (CID 117490119) is 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine is CN1CCC(c2ccc(-c3cnn(C)c3N)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is NUAVCHKWWNUBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-20-7-5-11(6-8-20)13-4-3-12(9-15(13)17)14-10-19-21(2)16(14)18/h3-4,9-11H,5-8,18H2,1-2H3.
What are the key properties of 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine?
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 304.83 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117490119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).