ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate

C16H27N3O2 — CID 116632280

IUPACethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate
SMILESCCCC1CCCCN1Cc1c(C(=O)OCC)cnn1C
InChIInChI=1S/C16H27N3O2/c1-4-8-13-9-6-7-10-19(13)12-15-14(11-17-18(15)3)16(20)21-5-2/h11,13H,4-10,12H2,1-3H3
InChIKeyVVUVUNBTFJHCIP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.75
Rot. Bonds6

About ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate

ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate (PubChem CID 116632280) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate
PubChem CID116632280
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nameethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate
SMILESCCCC1CCCCN1Cc1c(C(=O)OCC)cnn1C
InChIInChI=1S/C16H27N3O2/c1-4-8-13-9-6-7-10-19(13)12-15-14(11-17-18(15)3)16(20)21-5-2/h11,13H,4-10,12H2,1-3H3
InChIKeyVVUVUNBTFJHCIP-UHFFFAOYSA-N
XLogP2.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116631859
ethyl 1-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574199
ethyl 5-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 102782160
ethyl 1-methyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574200
ethyl 5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632162
ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116631883
ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169
ethyl 5-[(2,7-dioxoazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630223
ethyl 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1-methylpyrazole-4-carboxylate
CID 116632429
ethyl 5-[(4-hydroxy-4-methylazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 107405164
ethyl 5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631475
ethyl 5-[[cyclopentylmethyl(methyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116632142

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate (CID 116632280) is ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate is CCCC1CCCCN1Cc1c(C(=O)OCC)cnn1C.
What is the InChIKey of ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is VVUVUNBTFJHCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-8-13-9-6-7-10-19(13)12-15-14(11-17-18(15)3)16(20)21-5-2/h11,13H,4-10,12H2,1-3H3.
What are the key properties of ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate?
ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 116632280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).