(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

C17H18N4 — CID 93431002

IUPAC(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCc1[nH]ncc1CN[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N4/c1-13-15(12-20-21-13)11-19-17(14-7-3-2-4-8-14)16-9-5-6-10-18-16/h2-10,12,17,19H,11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyXPOZLKSWEXGIOC-KRWDZBQOSA-N
MW278.36 g/mol
LogP2.99
Rot. Bonds5

About (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine

(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (PubChem CID 93431002) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
PubChem CID93431002
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
SMILESCc1[nH]ncc1CN[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H18N4/c1-13-15(12-20-21-13)11-19-17(14-7-3-2-4-8-14)16-9-5-6-10-18-16/h2-10,12,17,19H,11H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyXPOZLKSWEXGIOC-KRWDZBQOSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 32670529
3,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-pyrazol-4-amine
CID 43547339
3-fluoro-4-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]benzonitrile
CID 56810906
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 42919824
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-1-ol
CID 93257822
4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-2-amine
CID 43663741
1-(4-methylphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 54893050
N'-[phenyl(pyridin-2-yl)methyl]propane-1,3-diamine
CID 60889324
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-phenylpropan-1-amine
CID 62040882
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
(1R)-1-(3-fluorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81369930

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The IUPAC name of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine (CID 93431002) is (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine.
What is the SMILES notation for (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The canonical SMILES for (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is Cc1[nH]ncc1CN[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
The InChIKey is XPOZLKSWEXGIOC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-15(12-20-21-13)11-19-17(14-7-3-2-4-8-14)16-9-5-6-10-18-16/h2-10,12,17,19H,11H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine?
(1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine has a molecular weight of 278.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenyl-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 93431002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).