2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide

C23H27N5O3 — CID 19416107

IUPAC2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(CN3CCCCC3)o2)c1
InChIInChI=1S/C23H27N5O3/c1-2-28-20(11-12-24-28)22(29)25-17-7-6-8-18(15-17)26-23(30)21-10-9-19(31-21)16-27-13-4-3-5-14-27/h6-12,15H,2-5,13-14,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyGBEGOMIWGRBYRQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.99
Rot. Bonds7

About 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide

2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 19416107) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID19416107
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(CN3CCCCC3)o2)c1
InChIInChI=1S/C23H27N5O3/c1-2-28-20(11-12-24-28)22(29)25-17-7-6-8-18(15-17)26-23(30)21-10-9-19(31-21)16-27-13-4-3-5-14-27/h6-12,15H,2-5,13-14,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyGBEGOMIWGRBYRQ-UHFFFAOYSA-N
XLogP3.99
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35336962
N-[3-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19415389
N-[3-[[5-[[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19413915
N-[3-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19452540
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414278
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414242
N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131901993
2-ethyl-N-[3-[[5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide
CID 19461352
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 19416158

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide (CID 19416107) is 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(CN3CCCCC3)o2)c1.
What is the InChIKey of 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is GBEGOMIWGRBYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-2-28-20(11-12-24-28)22(29)25-17-7-6-8-18(15-17)26-23(30)21-10-9-19(31-21)16-27-13-4-3-5-14-27/h6-12,15H,2-5,13-14,16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide?
2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19416107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).