methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate

C12H18N4O3 — CID 65354248

IUPACmethyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2nn(C)cc2N)CC1
InChIInChI=1S/C12H18N4O3/c1-15-7-9(13)10(14-15)11(17)16-5-3-8(4-6-16)12(18)19-2/h7-8H,3-6,13H2,1-2H3
InChIKeyPUBXZJGRADRDMF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.03
Rot. Bonds2

About methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate

methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate (PubChem CID 65354248) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
PubChem CID65354248
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Namemethyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2nn(C)cc2N)CC1
InChIInChI=1S/C12H18N4O3/c1-15-7-9(13)10(14-15)11(17)16-5-3-8(4-6-16)12(18)19-2/h7-8H,3-6,13H2,1-2H3
InChIKeyPUBXZJGRADRDMF-UHFFFAOYSA-N
XLogP0.03
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-1-methylpyrazole-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 65355326
(4-amino-1-methylpyrazol-3-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65354317
(4-amino-1-methylpyrazol-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209806
(4-amino-1-methylpyrazol-3-yl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107211043
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(4-amino-1-methylpyrazol-3-yl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 65355642
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
methyl 1-(5-amino-2,4-dimethylbenzoyl)piperidine-4-carboxylate
CID 102705142
(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
(4-amino-1-methylpyrazol-3-yl)-(2-ethylmorpholin-4-yl)methanone
CID 65354771
methyl 1-(3-amino-4-chlorobenzoyl)piperidine-4-carboxylate
CID 61042064
(4-amino-1-methylpyrazol-3-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 65353954

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate (CID 65354248) is methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2nn(C)cc2N)CC1.
What is the InChIKey of methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is PUBXZJGRADRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-7-9(13)10(14-15)11(17)16-5-3-8(4-6-16)12(18)19-2/h7-8H,3-6,13H2,1-2H3.
What are the key properties of methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate?
methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-amino-1-methylpyrazole-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 65354248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).