1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine

C21H26N4 — CID 167767364

IUPAC1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine
SMILESCC(NCc1ccnc(-c2ccccc2)c1)c1ccnn1C(C)(C)C
InChIInChI=1S/C21H26N4/c1-16(20-11-13-24-25(20)21(2,3)4)23-15-17-10-12-22-19(14-17)18-8-6-5-7-9-18/h5-14,16,23H,15H2,1-4H3
InChIKeyVYNRPVNURQCIKJ-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.55
Rot. Bonds5

About 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine

1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine (PubChem CID 167767364) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine
PubChem CID167767364
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine
SMILESCC(NCc1ccnc(-c2ccccc2)c1)c1ccnn1C(C)(C)C
InChIInChI=1S/C21H26N4/c1-16(20-11-13-24-25(20)21(2,3)4)23-15-17-10-12-22-19(14-17)18-8-6-5-7-9-18/h5-14,16,23H,15H2,1-4H3
InChIKeyVYNRPVNURQCIKJ-UHFFFAOYSA-N
XLogP4.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
4-ethyl-2-phenylpyridine;fluoroform;iridium
CID 174671800
[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
CID 169052705
2-(2-phenyl-4-pyridinyl)ethanol
CID 117001628
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
CID 167836777
4-(2-methylpropyl)-2-[3-[2-[3-[4-(2-methylpropyl)-2-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 118651859
4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
CID 162709897
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
silver bis(4-methyl-2-phenylpyridine)
CID 140722040
1-methyl-6-oxo-N-[(2-phenyl-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 166265710
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine (CID 167767364) is 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine is CC(NCc1ccnc(-c2ccccc2)c1)c1ccnn1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is VYNRPVNURQCIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-16(20-11-13-24-25(20)21(2,3)4)23-15-17-10-12-22-19(14-17)18-8-6-5-7-9-18/h5-14,16,23H,15H2,1-4H3.
What are the key properties of 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine?
1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 334.47 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrazol-3-yl)-N-[(2-phenyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 167767364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).