N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine

C15H21N3 — CID 54851114

IUPACN-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCNCc1c(-c2ccc(C(C)C)cc2)n[nH]c1C
InChIInChI=1S/C15H21N3/c1-10(2)12-5-7-13(8-6-12)15-14(9-16-4)11(3)17-18-15/h5-8,10,16H,9H2,1-4H3,(H,17,18)
InChIKeyQEARNFLZXVLBKR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.23
Rot. Bonds4

About N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine

N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine (PubChem CID 54851114) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
PubChem CID54851114
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine
SMILESCNCc1c(-c2ccc(C(C)C)cc2)n[nH]c1C
InChIInChI=1S/C15H21N3/c1-10(2)12-5-7-13(8-6-12)15-14(9-16-4)11(3)17-18-15/h5-8,10,16H,9H2,1-4H3,(H,17,18)
InChIKeyQEARNFLZXVLBKR-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine (CID 54851114) is N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine is CNCc1c(-c2ccc(C(C)C)cc2)n[nH]c1C.
What is the InChIKey of N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is QEARNFLZXVLBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10(2)12-5-7-13(8-6-12)15-14(9-16-4)11(3)17-18-15/h5-8,10,16H,9H2,1-4H3,(H,17,18).
What are the key properties of N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine?
N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-3-(4-propan-2-ylphenyl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 54851114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).