N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

C15H25N5 — CID 103030452

IUPACN-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1ccnn1C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H25N5/c1-11-15(12(2)19(4)18-11)10-13(16-3)6-7-14-8-9-17-20(14)5/h8-9,13,16H,6-7,10H2,1-5H3
InChIKeyFBYXUSUVBVFRHC-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.53
Rot. Bonds6

About N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine

N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (PubChem CID 103030452) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
PubChem CID103030452
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
SMILESCNC(CCc1ccnn1C)Cc1c(C)nn(C)c1C
InChIInChI=1S/C15H25N5/c1-11-15(12(2)19(4)18-11)10-13(16-3)6-7-14-8-9-17-20(14)5/h8-9,13,16H,6-7,10H2,1-5H3
InChIKeyFBYXUSUVBVFRHC-UHFFFAOYSA-N
XLogP1.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105158616
1-(4-bromothiophen-2-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105139256
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
CID 105182478
N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
CID 103030518
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
1-(3,4-difluorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105175964
1-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105161839
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine (CID 103030452) is N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is CNC(CCc1ccnn1C)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
The InChIKey is FBYXUSUVBVFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-11-15(12(2)19(4)18-11)10-13(16-3)6-7-14-8-9-17-20(14)5/h8-9,13,16H,6-7,10H2,1-5H3.
What are the key properties of N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine?
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine is sourced from PubChem (CID 103030452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).