N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

C11H13N3O2 — CID 35276451

IUPACN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1cnn(C)c1
InChIInChI=1S/C11H13N3O2/c1-8(9-6-12-14(2)7-9)13-11(15)10-4-3-5-16-10/h3-8H,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyLBSJNZHSBIROPW-QMMMGPOBSA-N
MW219.24 g/mol
LogP1.50
Rot. Bonds3

About N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide

N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 35276451) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID35276451
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)c1cnn(C)c1
InChIInChI=1S/C11H13N3O2/c1-8(9-6-12-14(2)7-9)13-11(15)10-4-3-5-16-10/h3-8H,1-2H3,(H,13,15)/t8-/m0/s1
InChIKeyLBSJNZHSBIROPW-QMMMGPOBSA-N
XLogP1.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
2-chloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110472970
N-[1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 45147147
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
CID 2919180
2-amino-N-[1-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289779
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
5-hydroxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 99974698
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
5-hydroxy-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 86285442
2-(furan-2-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]azepane-1-carboxamide
CID 71868116
N-[1-(1-methylpyrazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 45147221
3-chloro-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 110473486

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide (CID 35276451) is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)c1cnn(C)c1.
What is the InChIKey of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is LBSJNZHSBIROPW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(9-6-12-14(2)7-9)13-11(15)10-4-3-5-16-10/h3-8H,1-2H3,(H,13,15)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide?
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 35276451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).