N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine

C14H19N3 — CID 61271515

IUPACN-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1-n1cc(CNC(C)C)cn1
InChIInChI=1S/C14H19N3/c1-11(2)15-8-13-9-16-17(10-13)14-7-5-4-6-12(14)3/h4-7,9-11,15H,8H2,1-3H3
InChIKeyOJKCAONUOGRCBD-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.68
Rot. Bonds4

About N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine

N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 61271515) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID61271515
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1ccccc1-n1cc(CNC(C)C)cn1
InChIInChI=1S/C14H19N3/c1-11(2)15-8-13-9-16-17(10-13)14-7-5-4-6-12(14)3/h4-7,9-11,15H,8H2,1-3H3
InChIKeyOJKCAONUOGRCBD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61272105
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine
CID 135103174
3-[4-[(propan-2-ylamino)methyl]pyrazol-1-yl]benzonitrile
CID 61272507
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
CID 131920376
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
4-methyl-N-[3-[[1-(2-methylphenyl)pyrazol-4-yl]methylamino]propyl]benzenesulfonamide
CID 131938755
N-[[1-(3-nitrophenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271718
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
N-[[1-(4-chloro-3-fluorophenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 79149654
N-[[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441080

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine (CID 61271515) is N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine is Cc1ccccc1-n1cc(CNC(C)C)cn1.
What is the InChIKey of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is OJKCAONUOGRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)15-8-13-9-16-17(10-13)14-7-5-4-6-12(14)3/h4-7,9-11,15H,8H2,1-3H3.
What are the key properties of N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 61271515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).