N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine

C17H18N4 — CID 62770117

IUPACN-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(-n2cc(-c3ccccc3)cn2)ccn1
InChIInChI=1S/C17H18N4/c1-2-18-12-16-10-17(8-9-19-16)21-13-15(11-20-21)14-6-4-3-5-7-14/h3-11,13,18H,2,12H2,1H3
InChIKeyDSBGDCNFCPYCTG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.04
Rot. Bonds5

About N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine

N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine (PubChem CID 62770117) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
PubChem CID62770117
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(-n2cc(-c3ccccc3)cn2)ccn1
InChIInChI=1S/C17H18N4/c1-2-18-12-16-10-17(8-9-19-16)21-13-15(11-20-21)14-6-4-3-5-7-14/h3-11,13,18H,2,12H2,1H3
InChIKeyDSBGDCNFCPYCTG-UHFFFAOYSA-N
XLogP3.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine (CID 62770117) is N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine is CCNCc1cc(-n2cc(-c3ccccc3)cn2)ccn1.
What is the InChIKey of N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DSBGDCNFCPYCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-18-12-16-10-17(8-9-19-16)21-13-15(11-20-21)14-6-4-3-5-7-14/h3-11,13,18H,2,12H2,1H3.
What are the key properties of N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine?
N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-phenylpyrazol-1-yl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62770117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).