1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine

C17H34N4 — CID 107870543

IUPAC1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H34N4/c1-13(2)8-10-21(11-9-14(3)4)17-16(12-18-6)15(5)19-20(17)7/h13-14,18H,8-12H2,1-7H3
InChIKeyLTDRWPBXPASSAI-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.35
Rot. Bonds9

About 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine

1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine (PubChem CID 107870543) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
PubChem CID107870543
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
SMILESCNCc1c(C)nn(C)c1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H34N4/c1-13(2)8-10-21(11-9-14(3)4)17-16(12-18-6)15(5)19-20(17)7/h13-14,18H,8-12H2,1-7H3
InChIKeyLTDRWPBXPASSAI-UHFFFAOYSA-N
XLogP3.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]-(2-methoxyethyl)amino]ethanol
CID 113467892
2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide
CID 62922627
N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 54999803
4-[(tert-butylamino)methyl]-N-ethyl-1,3-dimethyl-N-(2-methylpropyl)pyrazol-5-amine
CID 63059837
N-(2-ethoxyethyl)-N-ethyl-1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-amine
CID 63691553
2-[cyclobutyl-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 102864919
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
4-[(2-methoxyethylamino)methyl]-1,3-dimethyl-N,N-dipropylpyrazol-5-amine
CID 63058730
3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol
CID 66137324
N-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylbutan-1-amine
CID 62245540
N-butyl-N-ethyl-1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280756
2-[2,2-difluoroethyl-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]amino]ethanol
CID 107481446

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine (CID 107870543) is 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine is CNCc1c(C)nn(C)c1N(CCC(C)C)CCC(C)C.
What is the InChIKey of 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine?
The InChIKey is LTDRWPBXPASSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-13(2)8-10-21(11-9-14(3)4)17-16(12-18-6)15(5)19-20(17)7/h13-14,18H,8-12H2,1-7H3.
What are the key properties of 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine?
1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine has a molecular weight of 294.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine is sourced from PubChem (CID 107870543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).