N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine

C18H20N4 — CID 141335817

IUPACN,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1c(-c2ccccc2)cnn1-c1cc(CN(C)C)ccn1
InChIInChI=1S/C18H20N4/c1-14-17(16-7-5-4-6-8-16)12-20-22(14)18-11-15(9-10-19-18)13-21(2)3/h4-12H,13H2,1-3H3
InChIKeyXSWGCTUMKLRSMW-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.30
Rot. Bonds4

About N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine

N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine (PubChem CID 141335817) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine
PubChem CID141335817
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine
SMILESCc1c(-c2ccccc2)cnn1-c1cc(CN(C)C)ccn1
InChIInChI=1S/C18H20N4/c1-14-17(16-7-5-4-6-8-16)12-20-22(14)18-11-15(9-10-19-18)13-21(2)3/h4-12H,13H2,1-3H3
InChIKeyXSWGCTUMKLRSMW-UHFFFAOYSA-N
XLogP3.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine (CID 141335817) is N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine is Cc1c(-c2ccccc2)cnn1-c1cc(CN(C)C)ccn1.
What is the InChIKey of N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine?
The InChIKey is XSWGCTUMKLRSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-17(16-7-5-4-6-8-16)12-20-22(14)18-11-15(9-10-19-18)13-21(2)3/h4-12H,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine?
N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(5-methyl-4-phenylpyrazol-1-yl)-4-pyridinyl]methanamine is sourced from PubChem (CID 141335817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).