methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate

C11H19N3O2 — CID 165475313

IUPACmethyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)nn(CCC)c1N
InChIInChI=1S/C11H19N3O2/c1-4-6-8-9(11(15)16-3)13-14(7-5-2)10(8)12/h4-7,12H2,1-3H3
InChIKeyXLXIKRCPKVNCGZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.61
Rot. Bonds5

About methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate

methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate (PubChem CID 165475313) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
PubChem CID165475313
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Namemethyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
SMILESCCCc1c(C(=O)OC)nn(CCC)c1N
InChIInChI=1S/C11H19N3O2/c1-4-6-8-9(11(15)16-3)13-14(7-5-2)10(8)12/h4-7,12H2,1-3H3
InChIKeyXLXIKRCPKVNCGZ-UHFFFAOYSA-N
XLogP1.61
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate
CID 165485600
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
ethyl 5-amino-1-propan-2-yl-4-propylpyrazole-3-carboxylate
CID 165476892
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
CID 165486035
5-amino-1,4-diethylpyrazole-3-carboxylic acid
CID 21432458
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate
CID 165476890
methyl 5-propyl-1-[(1-propyltetrazol-5-yl)methyl]triazole-4-carboxylate
CID 103113542
methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
CID 102808709

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate (CID 165475313) is methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate is CCCc1c(C(=O)OC)nn(CCC)c1N.
What is the InChIKey of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
The InChIKey is XLXIKRCPKVNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-6-8-9(11(15)16-3)13-14(7-5-2)10(8)12/h4-7,12H2,1-3H3.
What are the key properties of methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate?
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate is sourced from PubChem (CID 165475313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).