1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide

C18H26N4O2 — CID 95214322

IUPAC1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NC[C@H]2CCN(Cc3ccco3)C2)c1C
InChIInChI=1S/C18H26N4O2/c1-4-22-14(3)17(13(2)20-22)18(23)19-10-15-7-8-21(11-15)12-16-6-5-9-24-16/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyHTUJASCZBZBYNA-OAHLLOKOSA-N
MW330.43 g/mol
LogP2.36
Rot. Bonds6

About 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide

1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 95214322) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID95214322
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NC[C@H]2CCN(Cc3ccco3)C2)c1C
InChIInChI=1S/C18H26N4O2/c1-4-22-14(3)17(13(2)20-22)18(23)19-10-15-7-8-21(11-15)12-16-6-5-9-24-16/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,23)/t15-/m1/s1
InChIKeyHTUJASCZBZBYNA-OAHLLOKOSA-N
XLogP2.36
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 95202229
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
CID 74241621
1-ethyl-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472207
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218
N-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 56722802
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide (CID 95214322) is 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NC[C@H]2CCN(Cc3ccco3)C2)c1C.
What is the InChIKey of 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HTUJASCZBZBYNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-22-14(3)17(13(2)20-22)18(23)19-10-15-7-8-21(11-15)12-16-6-5-9-24-16/h5-6,9,15H,4,7-8,10-12H2,1-3H3,(H,19,23)/t15-/m1/s1.
What are the key properties of 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 95214322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).