N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine

C18H21N5 — CID 141081122

IUPACN,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine
SMILESCc1ccc(-c2nn(CCN(C)C)cc2-c2ccncn2)cc1
InChIInChI=1S/C18H21N5/c1-14-4-6-15(7-5-14)18-16(17-8-9-19-13-20-17)12-23(21-18)11-10-22(2)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyOBTFMGRXMZSUDF-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.88
Rot. Bonds5

About N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine

N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine (PubChem CID 141081122) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine
PubChem CID141081122
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine
SMILESCc1ccc(-c2nn(CCN(C)C)cc2-c2ccncn2)cc1
InChIInChI=1S/C18H21N5/c1-14-4-6-15(7-5-14)18-16(17-8-9-19-13-20-17)12-23(21-18)11-10-22(2)3/h4-9,12-13H,10-11H2,1-3H3
InChIKeyOBTFMGRXMZSUDF-UHFFFAOYSA-N
XLogP2.88
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine (CID 141081122) is N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine is Cc1ccc(-c2nn(CCN(C)C)cc2-c2ccncn2)cc1.
What is the InChIKey of N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine?
The InChIKey is OBTFMGRXMZSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-14-4-6-15(7-5-14)18-16(17-8-9-19-13-20-17)12-23(21-18)11-10-22(2)3/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine?
N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine has a molecular weight of 307.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 141081122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).