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

C15H21N3 — CID 64773599

IUPAC2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCc1cccc(NCc2ccn(C(C)C)n2)c1C
InChIInChI=1S/C15H21N3/c1-11(2)18-9-8-14(17-18)10-16-15-7-5-6-12(3)13(15)4/h5-9,11,16H,10H2,1-4H3
InChIKeyKDSFDLHKPSMOEM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.69
Rot. Bonds4

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

2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (PubChem CID 64773599) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
PubChem CID64773599
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCc1cccc(NCc2ccn(C(C)C)n2)c1C
InChIInChI=1S/C15H21N3/c1-11(2)18-9-8-14(17-18)10-16-15-7-5-6-12(3)13(15)4/h5-9,11,16H,10H2,1-4H3
InChIKeyKDSFDLHKPSMOEM-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64770909
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65469409
4-methyl-3-[(1-propan-2-ylpyrazol-3-yl)methylamino]benzonitrile
CID 64772889
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
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
2-bromo-5-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103750616
2-bromo-6-fluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103741861
3-bromo-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 107630219
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
4-[(2,3-dimethylanilino)methyl]-1,3-thiazol-2-amine
CID 82475642

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (CID 64773599) is 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is Cc1cccc(NCc2ccn(C(C)C)n2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is KDSFDLHKPSMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11(2)18-9-8-14(17-18)10-16-15-7-5-6-12(3)13(15)4/h5-9,11,16H,10H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 243.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 64773599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).