N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide

C19H23N5O2 — CID 9147609

IUPACN-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cc(C)n(-c2ccnn2C(C)C)c1C
InChIInChI=1S/C19H23N5O2/c1-12(2)24-18(6-8-21-24)23-13(3)10-16(14(23)4)11-20-22-19(25)17-7-9-26-15(17)5/h6-12H,1-5H3,(H,22,25)/b20-11-
InChIKeyIWMRHOSSROGMJY-JAIQZWGSSA-N
MW353.43 g/mol
LogP3.54
Rot. Bonds5

About N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 9147609) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID9147609
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cc(C)n(-c2ccnn2C(C)C)c1C
InChIInChI=1S/C19H23N5O2/c1-12(2)24-18(6-8-21-24)23-13(3)10-16(14(23)4)11-20-22-19(25)17-7-9-26-15(17)5/h6-12H,1-5H3,(H,22,25)/b20-11-
InChIKeyIWMRHOSSROGMJY-JAIQZWGSSA-N
XLogP3.54
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]furan-3-carboxamide
CID 72131123
(2-Methylfuran-3-yl)-[4-(1-methylpyrazol-4-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 97516169
(E)-3-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]-N-(furan-2-ylmethyl)-N-methylprop-2-enamide
CID 9205857
N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-1-(furan-2-yl)ethanamine
CID 45100065
N-(3-fluorophenyl)-N'-{1-[1-(2-methyl-3-furoyl)-4-piperidinyl]-1H-pyrazol-5-yl}urea
CID 26328855
2-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)furan-3-carboxamide
CID 32318397
5-(2-methylfuran-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 86790603
5-(2,5-Dimethylfuran-3-YL)-N-[(1-methylpyrrol-2-YL)methyl]-1,3,4-oxadiazol-2-amine
CID 86790723
2-methyl-N-{cis-3-[4-methyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-3-furamide
CID 91765352
(3-(1H-pyrrol-1-yl)-2-(m-tolyl)pyrrolo[3,4-c]pyrazol-5(2H,4H,6H)-yl)(2,5-dimethylfuran-3-yl)methanone
CID 56724296
N'-(2,5-dimethylfuran-3-carbonyl)-5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbohydrazide
CID 31303489
1-(2-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31840381

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide (CID 9147609) is N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1cc(C)n(-c2ccnn2C(C)C)c1C.
What is the InChIKey of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is IWMRHOSSROGMJY-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12(2)24-18(6-8-21-24)23-13(3)10-16(14(23)4)11-20-22-19(25)17-7-9-26-15(17)5/h6-12H,1-5H3,(H,22,25)/b20-11-.
What are the key properties of N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 9147609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).