methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate

C12H21N5O2 — CID 102808980

IUPACmethyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(CCN(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-16(2)6-7-17-10(13)9(12(18)19-3)11(15-17)14-8-4-5-8/h8H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyYOCXHHKLYHGTMI-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.39
Rot. Bonds6

About methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate

methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate (PubChem CID 102808980) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
PubChem CID102808980
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Namemethyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CC2)nn(CCN(C)C)c1N
InChIInChI=1S/C12H21N5O2/c1-16(2)6-7-17-10(13)9(12(18)19-3)11(15-17)14-8-4-5-8/h8H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyYOCXHHKLYHGTMI-UHFFFAOYSA-N
XLogP0.39
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809010
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102808998
methyl 5-amino-3-(cyclopropylamino)-1-(2-methylphenyl)pyrazole-4-carboxylate
CID 102808304
methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
CID 102808792
methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 102808136
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
2-[5-amino-3-(1-cyclopropylethylamino)-4-methoxycarbonylpyrazol-1-yl]acetic acid
CID 102809099

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate (CID 102808980) is methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate is COC(=O)c1c(NC2CC2)nn(CCN(C)C)c1N.
What is the InChIKey of methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
The InChIKey is YOCXHHKLYHGTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-16(2)6-7-17-10(13)9(12(18)19-3)11(15-17)14-8-4-5-8/h8H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate?
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 102808980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).