N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine

C12H15N3 — CID 61033287

IUPACN-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C12H15N3/c1-13-7-10-3-5-11(6-4-10)12-8-14-15(2)9-12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyMORXDHAXLMYAIG-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine

N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine (PubChem CID 61033287) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
PubChem CID61033287
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
SMILESCNCc1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C12H15N3/c1-13-7-10-3-5-11(6-4-10)12-8-14-15(2)9-12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyMORXDHAXLMYAIG-UHFFFAOYSA-N
XLogP1.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[[4-(pyridin-4-ylamino)phenyl]methyl]urea
CID 155966979
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 24963506
N-methyl-1-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 120558345
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
CID 167770744
1-[4-(4-chlorophenyl)phenyl]-N-methylmethanamine
CID 11424756
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-pyrimidine
CID 175782128

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine (CID 61033287) is N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine is CNCc1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is MORXDHAXLMYAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-13-7-10-3-5-11(6-4-10)12-8-14-15(2)9-12/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine?
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 61033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).