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

C12H19N5 — CID 55109269

IUPACN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(NC)c1cnn(Cc2cnn(C)c2)c1
InChIInChI=1S/C12H19N5/c1-4-12(13-2)11-6-15-17(9-11)8-10-5-14-16(3)7-10/h5-7,9,12-13H,4,8H2,1-3H3
InChIKeyHHBAATNIQVPBNI-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.34
Rot. Bonds5

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

N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 55109269) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID55109269
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(NC)c1cnn(Cc2cnn(C)c2)c1
InChIInChI=1S/C12H19N5/c1-4-12(13-2)11-6-15-17(9-11)8-10-5-14-16(3)7-10/h5-7,9,12-13H,4,8H2,1-3H3
InChIKeyHHBAATNIQVPBNI-UHFFFAOYSA-N
XLogP1.34
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 106730571
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine (CID 55109269) is N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine is CCC(NC)c1cnn(Cc2cnn(C)c2)c1.
What is the InChIKey of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is HHBAATNIQVPBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-12(13-2)11-6-15-17(9-11)8-10-5-14-16(3)7-10/h5-7,9,12-13H,4,8H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine?
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 55109269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).