5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide

C20H25N5O2 — CID 91909799

IUPAC5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide
SMILESCc1n[nH]c(C)c1Cc1ccc(C(=O)NCC2Cn3cccc3CN2C)o1
InChIInChI=1S/C20H25N5O2/c1-13-18(14(2)23-22-13)9-17-6-7-19(27-17)20(26)21-10-16-12-25-8-4-5-15(25)11-24(16)3/h4-8,16H,9-12H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyWFNKEADYZPGZRU-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.26
Rot. Bonds5

About 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide (PubChem CID 91909799) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide
PubChem CID91909799
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide
SMILESCc1n[nH]c(C)c1Cc1ccc(C(=O)NCC2Cn3cccc3CN2C)o1
InChIInChI=1S/C20H25N5O2/c1-13-18(14(2)23-22-13)9-17-6-7-19(27-17)20(26)21-10-16-12-25-8-4-5-15(25)11-24(16)3/h4-8,16H,9-12H2,1-3H3,(H,21,26)(H,22,23)
InChIKeyWFNKEADYZPGZRU-UHFFFAOYSA-N
XLogP2.26
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide (CID 91909799) is 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide is Cc1n[nH]c(C)c1Cc1ccc(C(=O)NCC2Cn3cccc3CN2C)o1.
What is the InChIKey of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is WFNKEADYZPGZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-18(14(2)23-22-13)9-17-6-7-19(27-17)20(26)21-10-16-12-25-8-4-5-15(25)11-24(16)3/h4-8,16H,9-12H2,1-3H3,(H,21,26)(H,22,23).
What are the key properties of 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide?
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 91909799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).