N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine

C12H19N5 — CID 103010532

IUPACN-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cnn(C)c1
InChIInChI=1S/C12H19N5/c1-13-12(11-7-15-17(3)9-11)5-4-10-6-14-16(2)8-10/h6-9,12-13H,4-5H2,1-3H3
InChIKeyYRKBXYKGYIPXPY-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine

N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103010532) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103010532
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1cnn(C)c1
InChIInChI=1S/C12H19N5/c1-13-12(11-7-15-17(3)9-11)5-4-10-6-14-16(2)8-10/h6-9,12-13H,4-5H2,1-3H3
InChIKeyYRKBXYKGYIPXPY-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029803
1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011495
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 107947047
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine (CID 103010532) is N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)c1cnn(C)c1.
What is the InChIKey of N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is YRKBXYKGYIPXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-13-12(11-7-15-17(3)9-11)5-4-10-6-14-16(2)8-10/h6-9,12-13H,4-5H2,1-3H3.
What are the key properties of N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine?
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 233.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103010532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).