methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate

C14H21N3O2 — CID 166284523

IUPACmethyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CCN(CC3CC3)CC2)[nH]n1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)13-8-12(15-16-13)11-4-6-17(7-5-11)9-10-2-3-10/h8,10-11H,2-7,9H2,1H3,(H,15,16)
InChIKeyXLVDFQZFDDTBAN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.79
Rot. Bonds4

About methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate

methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate (PubChem CID 166284523) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
PubChem CID166284523
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C2CCN(CC3CC3)CC2)[nH]n1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)13-8-12(15-16-13)11-4-6-17(7-5-11)9-10-2-3-10/h8,10-11H,2-7,9H2,1H3,(H,15,16)
InChIKeyXLVDFQZFDDTBAN-UHFFFAOYSA-N
XLogP1.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
The IUPAC name of methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate (CID 166284523) is methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
The canonical SMILES for methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate is COC(=O)c1cc(C2CCN(CC3CC3)CC2)[nH]n1.
What is the InChIKey of methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
The InChIKey is XLVDFQZFDDTBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)13-8-12(15-16-13)11-4-6-17(7-5-11)9-10-2-3-10/h8,10-11H,2-7,9H2,1H3,(H,15,16).
What are the key properties of methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate?
methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 166284523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).