N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C17H24N4O2 — CID 131918393

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2ccc(CN3CCCC3)o2)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-12(9-14-10-13(2)19-20-14)18-17(22)16-6-5-15(23-16)11-21-7-3-4-8-21/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyOXYIHUCUUMITOJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.27
Rot. Bonds6

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131918393) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131918393
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2ccc(CN3CCCC3)o2)n[nH]1
InChIInChI=1S/C17H24N4O2/c1-12(9-14-10-13(2)19-20-14)18-17(22)16-6-5-15(23-16)11-21-7-3-4-8-21/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyOXYIHUCUUMITOJ-UHFFFAOYSA-N
XLogP2.27
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-morpholin-4-ylacetamide
CID 99700853
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414242
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-(2-oxoazepan-1-yl)acetamide
CID 118777088
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 124594022
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 121498220
1-[(4-fluorophenyl)methyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
CID 56905367
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
N-[1-(4-butan-2-ylphenyl)propyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415982
5-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrazole
CID 126990232
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74241448
(3S)-1-(azepan-1-yl)-3-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]butan-1-one
CID 97104008
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131918393) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is Cc1cc(CC(C)NC(=O)c2ccc(CN3CCCC3)o2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is OXYIHUCUUMITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(9-14-10-13(2)19-20-14)18-17(22)16-6-5-15(23-16)11-21-7-3-4-8-21/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131918393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).