(5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone

C10H11N3O2 — CID 130527956

IUPAC(5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone
SMILESCOc1cc(C(=O)c2ccc[nH]2)nn1C
InChIInChI=1S/C10H11N3O2/c1-13-9(15-2)6-8(12-13)10(14)7-4-3-5-11-7/h3-6,11H,1-2H3
InChIKeyIFTICIDKWFMXIQ-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.99
Rot. Bonds3

About (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone

(5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 130527956) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID130527956
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone
SMILESCOc1cc(C(=O)c2ccc[nH]2)nn1C
InChIInChI=1S/C10H11N3O2/c1-13-9(15-2)6-8(12-13)10(14)7-4-3-5-11-7/h3-6,11H,1-2H3
InChIKeyIFTICIDKWFMXIQ-UHFFFAOYSA-N
XLogP0.99
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 130497434
(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130594883
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794
N-[4-(chloromethyl)phenyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255172
[(2R,4S)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 129345913
3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114254983
2-(5-bromo-2-pyridinyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255296
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255283
3-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 114255287
N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide
CID 126975543
3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
CID 114255017
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255135

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone (CID 130527956) is (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone is COc1cc(C(=O)c2ccc[nH]2)nn1C.
What is the InChIKey of (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is IFTICIDKWFMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13-9(15-2)6-8(12-13)10(14)7-4-3-5-11-7/h3-6,11H,1-2H3.
What are the key properties of (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone?
(5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylpyrazol-3-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 130527956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).