N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C22H26N4O3 — CID 19414245

IUPACN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccc(CN4CCCC4)o3)cn2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-17-5-7-19(8-6-17)28-16-26-14-18(13-23-26)24-22(27)21-10-9-20(29-21)15-25-11-3-4-12-25/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,24,27)
InChIKeyTXGHVUHXSLRDRD-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.92
Rot. Bonds8

About N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19414245) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID19414245
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3ccc(CN4CCCC4)o3)cn2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-17-5-7-19(8-6-17)28-16-26-14-18(13-23-26)24-22(27)21-10-9-20(29-21)15-25-11-3-4-12-25/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,24,27)
InChIKeyTXGHVUHXSLRDRD-UHFFFAOYSA-N
XLogP3.92
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459045
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448558
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19406511
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19465285
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414149
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19406478
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414278
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19406430
2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414095
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414163

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 19414245) is N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CCc1ccc(OCn2cc(NC(=O)c3ccc(CN4CCCC4)o3)cn2)cc1.
What is the InChIKey of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is TXGHVUHXSLRDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-17-5-7-19(8-6-17)28-16-26-14-18(13-23-26)24-22(27)21-10-9-20(29-21)15-25-11-3-4-12-25/h5-10,13-14H,2-4,11-12,15-16H2,1H3,(H,24,27).
What are the key properties of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19414245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).