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

C14H19N3 — CID 64770909

IUPAC2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCc1ccccc1NCc1ccn(C(C)C)n1
InChIInChI=1S/C14H19N3/c1-11(2)17-9-8-13(16-17)10-15-14-7-5-4-6-12(14)3/h4-9,11,15H,10H2,1-3H3
InChIKeyCSNZQSJIHWTNPC-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.38
Rot. Bonds4

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

2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (PubChem CID 64770909) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
PubChem CID64770909
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCc1ccccc1NCc1ccn(C(C)C)n1
InChIInChI=1S/C14H19N3/c1-11(2)17-9-8-13(16-17)10-15-14-7-5-4-6-12(14)3/h4-9,11,15H,10H2,1-3H3
InChIKeyCSNZQSJIHWTNPC-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

2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64773599
4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]benzonitrile
CID 64772889
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65469409
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
2,3,5-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64772172
4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64773415
2-bromo-5-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103750616
2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800231
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
2-bromo-6-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103741861
5-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (CID 64770909) is 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is Cc1ccccc1NCc1ccn(C(C)C)n1.
What is the InChIKey of 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is CSNZQSJIHWTNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)17-9-8-13(16-17)10-15-14-7-5-4-6-12(14)3/h4-9,11,15H,10H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
2-methyl-N-[(1-propan-2-ylpyrazol-3-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 2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 64770909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).