[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate

C16H25N3O3 — CID 47017814

IUPAC[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OC(C)C(=O)NC2CCCCCC2)cnn1C
InChIInChI=1S/C16H25N3O3/c1-11-14(10-17-19(11)3)16(21)22-12(2)15(20)18-13-8-6-4-5-7-9-13/h10,12-13H,4-9H2,1-3H3,(H,18,20)
InChIKeyMAKGOAKGHGIPPU-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.11
Rot. Bonds4

About [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate

[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate (PubChem CID 47017814) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
PubChem CID47017814
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
SMILESCc1c(C(=O)OC(C)C(=O)NC2CCCCCC2)cnn1C
InChIInChI=1S/C16H25N3O3/c1-11-14(10-17-19(11)3)16(21)22-12(2)15(20)18-13-8-6-4-5-7-9-13/h10,12-13H,4-9H2,1-3H3,(H,18,20)
InChIKeyMAKGOAKGHGIPPU-UHFFFAOYSA-N
XLogP2.11
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
CID 30179086
[1-(tert-butylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate
CID 46693401
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 46512074
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8912568
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 6915447
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336

Frequently Asked Questions

What is the IUPAC name of [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate (CID 47017814) is [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate is Cc1c(C(=O)OC(C)C(=O)NC2CCCCCC2)cnn1C.
What is the InChIKey of [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate?
The InChIKey is MAKGOAKGHGIPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-14(10-17-19(11)3)16(21)22-12(2)15(20)18-13-8-6-4-5-7-9-13/h10,12-13H,4-9H2,1-3H3,(H,18,20).
What are the key properties of [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate?
[1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloheptylamino)-1-oxopropan-2-yl] 1,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 47017814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).