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

C17H18N4 — CID 81473456

IUPAC2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
SMILESCc1ncccc1NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H18N4/c1-13(20-17-9-6-10-18-14(17)2)15-11-19-21(12-15)16-7-4-3-5-8-16/h3-13,20H,1-2H3
InChIKeyDHYRTLQJYFYLQC-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.75
Rot. Bonds4

About 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine

2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine (PubChem CID 81473456) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
PubChem CID81473456
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
SMILESCc1ncccc1NC(C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H18N4/c1-13(20-17-9-6-10-18-14(17)2)15-11-19-21(12-15)16-7-4-3-5-8-16/h3-13,20H,1-2H3
InChIKeyDHYRTLQJYFYLQC-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

1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
5-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine
CID 103932265
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
3-bromo-N-[1-(1-phenylpyrazol-4-yl)ethyl]aniline
CID 81472821
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
2-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 81343823
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-methyl-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 79042084
2-methyl-N-[1-(2-methylphenyl)ethyl]pyridin-3-amine
CID 79041978
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine (CID 81473456) is 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine is Cc1ncccc1NC(C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
The InChIKey is DHYRTLQJYFYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13(20-17-9-6-10-18-14(17)2)15-11-19-21(12-15)16-7-4-3-5-8-16/h3-13,20H,1-2H3.
What are the key properties of 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine?
2-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 2-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 81473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).