5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine

C14H18N4O2 — CID 66017475

IUPAC5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(Nc2ccc3c(c2)OCO3)c1N
InChIInChI=1S/C14H18N4O2/c1-3-4-10-13(15)14(18(2)17-10)16-9-5-6-11-12(7-9)20-8-19-11/h5-7,16H,3-4,8,15H2,1-2H3
InChIKeySAKLJVPALDQYGV-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.43
Rot. Bonds4

About 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine

5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine (PubChem CID 66017475) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
PubChem CID66017475
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine
SMILESCCCc1nn(C)c(Nc2ccc3c(c2)OCO3)c1N
InChIInChI=1S/C14H18N4O2/c1-3-4-10-13(15)14(18(2)17-10)16-9-5-6-11-12(7-9)20-8-19-11/h5-7,16H,3-4,8,15H2,1-2H3
InChIKeySAKLJVPALDQYGV-UHFFFAOYSA-N
XLogP2.43
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(4-fluorophenyl)-1-methyl-3-propylpyrazole-4,5-diamine
CID 66018841
5-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-2-fluorobenzonitrile
CID 66017721
1-methyl-5-N-(4-propan-2-yloxyphenyl)-3-propylpyrazole-4,5-diamine
CID 66019039
4-N-(1,3-benzodioxol-5-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80977407
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
CID 115478297
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
2-(1,3-benzodioxol-5-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135764116
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22542025
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
CID 174670115
4-N-(1,3-benzodioxol-5-yl)-2-N,2-N,6-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 117093416
1-methyl-5-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66017910

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine (CID 66017475) is 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine is CCCc1nn(C)c(Nc2ccc3c(c2)OCO3)c1N.
What is the InChIKey of 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
The InChIKey is SAKLJVPALDQYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-4-10-13(15)14(18(2)17-10)16-9-5-6-11-12(7-9)20-8-19-11/h5-7,16H,3-4,8,15H2,1-2H3.
What are the key properties of 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine?
5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzodioxol-5-yl)-1-methyl-3-propylpyrazole-4,5-diamine is sourced from PubChem (CID 66017475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).