3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

C14H19N3 — CID 103720504

IUPAC3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2cnn(C(C)C)c2)c1
InChIInChI=1S/C14H19N3/c1-11(2)17-10-13(9-16-17)8-15-14-6-4-5-12(3)7-14/h4-7,9-11,15H,8H2,1-3H3
InChIKeyHYAVFDMPMJFVOY-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.38
Rot. Bonds4

About 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 103720504) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID103720504
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2cnn(C(C)C)c2)c1
InChIInChI=1S/C14H19N3/c1-11(2)17-10-13(9-16-17)8-15-14-6-4-5-12(3)7-14/h4-7,9-11,15H,8H2,1-3H3
InChIKeyHYAVFDMPMJFVOY-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103824003
3-bromo-4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818279
3-(2-methylpropoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720531
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
N-[(3,4-dibromophenyl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 115881219
3-chloro-5-fluoro-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818393
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437428
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 103720504) is 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is Cc1cccc(NCc2cnn(C(C)C)c2)c1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is HYAVFDMPMJFVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)17-10-13(9-16-17)8-15-14-6-4-5-12(3)7-14/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103720504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).