4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide

C18H19N5O2 — CID 94801186

IUPAC4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)Cn1cccn1
InChIInChI=1S/C18H19N5O2/c1-13(12-23-9-5-6-21-23)11-20-17(24)16-14(2)25-18(15(16)10-19)22-7-3-4-8-22/h3-9,13H,11-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyYVQSMEBMUIKIGG-ZDUSSCGKSA-N
MW337.38 g/mol
LogP2.51
Rot. Bonds6

About 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 94801186) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID94801186
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)Cn1cccn1
InChIInChI=1S/C18H19N5O2/c1-13(12-23-9-5-6-21-23)11-20-17(24)16-14(2)25-18(15(16)10-19)22-7-3-4-8-22/h3-9,13H,11-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyYVQSMEBMUIKIGG-ZDUSSCGKSA-N
XLogP2.51
TPSA88.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Related Compounds

4-cyano-2-methyl-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 94801185
4-cyano-N-(2-hydroxy-2,3-dimethylpentyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111477897
4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 38536284
4-cyano-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111697783
4-cyano-N-(3-hydroxy-3-phenylpropyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111471557
4-cyano-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 47016899
4-cyano-2-methyl-N-[2-(2-methylpropoxy)phenyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 87027951
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46398876
N-butyl-4-cyano-N-ethyl-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 46517359
4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 28536647
4-cyano-2-methyl-N-[(4-phenyloxan-4-yl)methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 86983100
4-cyano-2-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 35254740

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide (CID 94801186) is 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](C)Cn1cccn1.
What is the InChIKey of 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is YVQSMEBMUIKIGG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(12-23-9-5-6-21-23)11-20-17(24)16-14(2)25-18(15(16)10-19)22-7-3-4-8-22/h3-9,13H,11-12H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-methyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 94801186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).