N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine

C16H19N5 — CID 81297961

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCC(NCc1ccnn1C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N5/c1-13(17-11-16-8-9-18-20(16)2)14-10-19-21(12-14)15-6-4-3-5-7-15/h3-10,12-13,17H,11H2,1-2H3
InChIKeyHPAIVNAFBUCMMN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.46
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine (PubChem CID 81297961) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
PubChem CID81297961
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
SMILESCC(NCc1ccnn1C)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N5/c1-13(17-11-16-8-9-18-20(16)2)14-10-19-21(12-14)15-6-4-3-5-7-15/h3-10,12-13,17H,11H2,1-2H3
InChIKeyHPAIVNAFBUCMMN-UHFFFAOYSA-N
XLogP2.46
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-3-ylmethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81343580
N-[(5-methylfuran-2-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine
CID 81472971
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
2,2-difluoro-3-[1-(1-phenylpyrazol-4-yl)ethylamino]propan-1-ol
CID 104860544
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-(2-ethylsulfonylethyl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 103780937
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-[1-(1-phenylpyrazol-4-yl)ethylamino]pentan-3-ol
CID 115729125
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanesulfonamide
CID 81470721

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine (CID 81297961) is N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine is CC(NCc1ccnn1C)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
The InChIKey is HPAIVNAFBUCMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-13(17-11-16-8-9-18-20(16)2)14-10-19-21(12-14)15-6-4-3-5-7-15/h3-10,12-13,17H,11H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-(1-phenylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 81297961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).