methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate

C9H14N4O2 — CID 102808359

IUPACmethyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CCC2)n[nH]c1N
InChIInChI=1S/C9H14N4O2/c1-15-9(14)6-7(10)12-13-8(6)11-5-3-2-4-5/h5H,2-4H2,1H3,(H4,10,11,12,13)
InChIKeyJRCGGELWOZQSGB-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.74
Rot. Bonds3

About methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate

methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate (PubChem CID 102808359) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate
PubChem CID102808359
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namemethyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(NC2CCC2)n[nH]c1N
InChIInChI=1S/C9H14N4O2/c1-15-9(14)6-7(10)12-13-8(6)11-5-3-2-4-5/h5H,2-4H2,1H3,(H4,10,11,12,13)
InChIKeyJRCGGELWOZQSGB-UHFFFAOYSA-N
XLogP0.74
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-3-(cyclobutylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808565
methyl 5-amino-1-tert-butyl-3-(cyclohexylamino)pyrazole-4-carboxylate
CID 102808403
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102808998
dimethyl 3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxylate
CID 103423919
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
methyl 4-[[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]amino]benzoate
CID 19149466
methyl 5-amino-3-(cyclopropylamino)-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809010
ethyl 5-amino-3-(ethylamino)-1H-pyrazole-4-carboxylate
CID 102534352
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
methyl 2-amino-4-(cyclopentylamino)-6-fluorobenzoate
CID 138697108

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate (CID 102808359) is methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate is COC(=O)c1c(NC2CCC2)n[nH]c1N.
What is the InChIKey of methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate?
The InChIKey is JRCGGELWOZQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-9(14)6-7(10)12-13-8(6)11-5-3-2-4-5/h5H,2-4H2,1H3,(H4,10,11,12,13).
What are the key properties of methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate?
methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate has a molecular weight of 210.24 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(cyclobutylamino)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 102808359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).