1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine

C22H23N5 — CID 25286593

IUPAC1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCCn1cc(CNCc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C22H23N5/c1-2-27-16-17(13-25-27)12-23-14-21-15-24-26-22(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,13,15-16,23H,2,12,14H2,1H3,(H,24,26)
InChIKeyQFDAPLRSMFECOI-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.25
Rot. Bonds7

About 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine

1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine (PubChem CID 25286593) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
PubChem CID25286593
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
SMILESCCn1cc(CNCc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C22H23N5/c1-2-27-16-17(13-25-27)12-23-14-21-15-24-26-22(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,13,15-16,23H,2,12,14H2,1H3,(H,24,26)
InChIKeyQFDAPLRSMFECOI-UHFFFAOYSA-N
XLogP4.25
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine (CID 25286593) is 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine is CCn1cc(CNCc2cn[nH]c2-c2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
The InChIKey is QFDAPLRSMFECOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-27-16-17(13-25-27)12-23-14-21-15-24-26-22(21)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-11,13,15-16,23H,2,12,14H2,1H3,(H,24,26).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine?
1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine has a molecular weight of 357.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 25286593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).