(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine

C17H18N4 — CID 81395317

IUPAC(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@H](NCc1cn[nH]c1-c1ccccc1)c1ccncc1
InChIInChI=1S/C17H18N4/c1-13(14-7-9-18-10-8-14)19-11-16-12-20-21-17(16)15-5-3-2-4-6-15/h2-10,12-13,19H,11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyFLKVKMJLVJETGZ-ZDUSSCGKSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds5

About (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine

(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 81395317) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID81395317
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
SMILESC[C@H](NCc1cn[nH]c1-c1ccccc1)c1ccncc1
InChIInChI=1S/C17H18N4/c1-13(14-7-9-18-10-8-14)19-11-16-12-20-21-17(16)15-5-3-2-4-6-15/h2-10,12-13,19H,11H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyFLKVKMJLVJETGZ-ZDUSSCGKSA-N
XLogP3.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
(1S)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398695
N-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-1-phenylethanamine
CID 3160550
(2R,3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276405
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
1-(3-methyl-4-pyridinyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 114699278
(1R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylethanamine
CID 25338981
methyl (2S)-3-methyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 61142712
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine (CID 81395317) is (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine is C[C@H](NCc1cn[nH]c1-c1ccccc1)c1ccncc1.
What is the InChIKey of (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is FLKVKMJLVJETGZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4/c1-13(14-7-9-18-10-8-14)19-11-16-12-20-21-17(16)15-5-3-2-4-6-15/h2-10,12-13,19H,11H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine?
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 278.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 81395317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).