5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

C16H21N5O3 — CID 167823705

IUPAC5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C16H21N5O3/c1-17-15(22)10-21-6-4-11(5-7-21)18-16(23)13-9-12(19-20-13)14-3-2-8-24-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyJYIGPWICGYMLQX-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.61
Rot. Bonds5

About 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 167823705) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID167823705
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2cc(-c3ccco3)[nH]n2)CC1
InChIInChI=1S/C16H21N5O3/c1-17-15(22)10-21-6-4-11(5-7-21)18-16(23)13-9-12(19-20-13)14-3-2-8-24-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,22)(H,18,23)(H,19,20)
InChIKeyJYIGPWICGYMLQX-UHFFFAOYSA-N
XLogP0.61
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 167823705) is 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is CNC(=O)CN1CCC(NC(=O)c2cc(-c3ccco3)[nH]n2)CC1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JYIGPWICGYMLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-17-15(22)10-21-6-4-11(5-7-21)18-16(23)13-9-12(19-20-13)14-3-2-8-24-14/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,22)(H,18,23)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167823705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).