1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine

C16H19N5 — CID 62771686

IUPAC1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H19N5/c1-12-15(10-17-2)16(20(3)19-12)21-11-14(9-18-21)13-7-5-4-6-8-13/h4-9,11,17H,10H2,1-3H3
InChIKeyVUMLTSLGDCMQJB-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.30
Rot. Bonds4

About 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine

1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 62771686) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID62771686
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1c(C)nn(C)c1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C16H19N5/c1-12-15(10-17-2)16(20(3)19-12)21-11-14(9-18-21)13-7-5-4-6-8-13/h4-9,11,17H,10H2,1-3H3
InChIKeyVUMLTSLGDCMQJB-UHFFFAOYSA-N
XLogP2.30
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine (CID 62771686) is 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine is CNCc1c(C)nn(C)c1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is VUMLTSLGDCMQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-15(10-17-2)16(20(3)19-12)21-11-14(9-18-21)13-7-5-4-6-8-13/h4-9,11,17H,10H2,1-3H3.
What are the key properties of 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine?
1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(4-phenylpyrazol-1-yl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62771686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).