3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline

C17H17N3O — CID 62886369

IUPAC3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
SMILESCOc1cccc(NCc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17N3O/c1-21-17-9-5-6-14(12-17)18-13-15-10-11-20(19-15)16-7-3-2-4-8-16/h2-12,18H,13H2,1H3
InChIKeyPVNXAJUSFWRCPK-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.49
Rot. Bonds5

About 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline

3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline (PubChem CID 62886369) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
PubChem CID62886369
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline
SMILESCOc1cccc(NCc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C17H17N3O/c1-21-17-9-5-6-14(12-17)18-13-15-10-11-20(19-15)16-7-3-2-4-8-16/h2-12,18H,13H2,1H3
InChIKeyPVNXAJUSFWRCPK-UHFFFAOYSA-N
XLogP3.49
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(2-phenyltriazol-4-yl)methyl]aniline
CID 28774635
4-(3-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111290543
2-[1-(3-methoxyphenyl)pyrazol-3-yl]acetic acid
CID 82390451
3-methoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]aniline
CID 6623412
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine
CID 133359933
N-[(3-methoxyphenyl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691927
3-methoxy-N-(pyrimidin-2-ylmethyl)aniline
CID 62698211
4-chloro-5-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-2-phenylpyridazin-3-one
CID 133309689
2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
CID 133442724

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline (CID 62886369) is 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline is COc1cccc(NCc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline?
The InChIKey is PVNXAJUSFWRCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-17-9-5-6-14(12-17)18-13-15-10-11-20(19-15)16-7-3-2-4-8-16/h2-12,18H,13H2,1H3.
What are the key properties of 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline?
3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline has a molecular weight of 279.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-phenylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 62886369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).