5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine

C13H26N4 — CID 66019042

IUPAC5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CC(C)CC)c1N
InChIInChI=1S/C13H26N4/c1-6-8-11-12(14)13(17(5)15-11)16(4)9-10(3)7-2/h10H,6-9,14H2,1-5H3
InChIKeyXUEQNDNNPATAKA-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.44
Rot. Bonds6

About 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine

5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine (PubChem CID 66019042) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
PubChem CID66019042
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(N(C)CC(C)CC)c1N
InChIInChI=1S/C13H26N4/c1-6-8-11-12(14)13(17(5)15-11)16(4)9-10(3)7-2/h10H,6-9,14H2,1-5H3
InChIKeyXUEQNDNNPATAKA-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66017999
5-N,1-dimethyl-5-N-pentan-2-yl-3-propylpyrazole-4,5-diamine
CID 66019626
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)-methylamino]-N-propan-2-ylacetamide
CID 66019457
5-N-cyclopropyl-1-methyl-5-N-(2-methylpropyl)-3-propylpyrazole-4,5-diamine
CID 66018877
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
4-(aminomethyl)-N,1,3-trimethyl-N-(2-methylbutyl)pyrazol-5-amine
CID 43296122
5-N-[(5-bromothiophen-3-yl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66019454
3-ethyl-5-N,1-dimethyl-5-N-propylpyrazole-4,5-diamine
CID 66014379
5-N-[(2-fluorophenyl)methyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66017108
5-N,1-dimethyl-3-propyl-5-N-(pyridin-3-ylmethyl)pyrazole-4,5-diamine
CID 66018270
5-N-[1-(2-fluorophenyl)ethyl]-5-N,1-dimethyl-3-propylpyrazole-4,5-diamine
CID 66019281
5-N-(2-methoxyethyl)-5-N-(1-methoxypropan-2-yl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66019266

Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine (CID 66019042) is 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(N(C)CC(C)CC)c1N.
What is the InChIKey of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine?
The InChIKey is XUEQNDNNPATAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-6-8-11-12(14)13(17(5)15-11)16(4)9-10(3)7-2/h10H,6-9,14H2,1-5H3.
What are the key properties of 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-(2-methylbutyl)-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66019042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).