5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine

C17H18N4 — CID 103932265

IUPAC5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
SMILESCc1cncc(NC(C)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H18N4/c1-13-8-16(11-18-9-13)20-14(2)15-10-19-21(12-15)17-6-4-3-5-7-17/h3-12,14,20H,1-2H3
InChIKeyLEPVYTFKHDPGRS-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.75
Rot. Bonds4

About 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine

5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine (PubChem CID 103932265) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
PubChem CID103932265
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
SMILESCc1cncc(NC(C)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C17H18N4/c1-13-8-16(11-18-9-13)20-14(2)15-10-19-21(12-15)17-6-4-3-5-7-17/h3-12,14,20H,1-2H3
InChIKeyLEPVYTFKHDPGRS-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(1-phenylpyrazol-4-yl)ethyl]aniline
CID 81472821
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
CID 81473456
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
5-methyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyridin-3-amine
CID 103932356
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
5-methyl-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 115922253
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
4-[bromo-(2-bromo-5-methylphenyl)methyl]-1-phenylpyrazole
CID 81112348

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine (CID 103932265) is 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine is Cc1cncc(NC(C)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
The InChIKey is LEPVYTFKHDPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-8-16(11-18-9-13)20-14(2)15-10-19-21(12-15)17-6-4-3-5-7-17/h3-12,14,20H,1-2H3.
What are the key properties of 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 103932265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).