3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide

C19H21N5O4 — CID 140608387

IUPAC3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide
SMILESCn1nc(NC(=O)c2ccc(O)c(C(=O)NCCCN)c2)cc1-c1ccco1
InChIInChI=1S/C19H21N5O4/c1-24-14(16-4-2-9-28-16)11-17(23-24)22-18(26)12-5-6-15(25)13(10-12)19(27)21-8-3-7-20/h2,4-6,9-11,25H,3,7-8,20H2,1H3,(H,21,27)(H,22,23,26)
InChIKeyPEFGLVSAMHZRGM-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.72
Rot. Bonds7

About 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide

3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide (PubChem CID 140608387) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide
PubChem CID140608387
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide
SMILESCn1nc(NC(=O)c2ccc(O)c(C(=O)NCCCN)c2)cc1-c1ccco1
InChIInChI=1S/C19H21N5O4/c1-24-14(16-4-2-9-28-16)11-17(23-24)22-18(26)12-5-6-15(25)13(10-12)19(27)21-8-3-7-20/h2,4-6,9-11,25H,3,7-8,20H2,1H3,(H,21,27)(H,22,23,26)
InChIKeyPEFGLVSAMHZRGM-UHFFFAOYSA-N
XLogP1.72
TPSA135.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-3-[2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]ethyl]benzamide
CID 129176759
3-N-(3-aminopropyl)-4-methoxy-1-N-pyrazolo[1,5-a]pyrimidin-2-ylbenzene-1,3-dicarboxamide
CID 140608368
N-(3-aminopropyl)-5-bromo-2-hydroxybenzamide
CID 104872204
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
N-[3-[2-[2-[2-[2-[2-[4-(3-aminopropylamino)-2-oxobutoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylcarbamoyl]-4-methoxyphenyl]-5-(furan-2-yl)-1-methylpyrazole-3-carboxamide
CID 129176773
5-[[3-(3-aminopropylcarbamoyl)benzoyl]amino]-2-hydroxybenzoic acid;hydrochloride
CID 78333464
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide
CID 58487193
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
5-[[4-[4-(3-aminopropylamino)butylcarbamoyl]benzoyl]amino]-2-hydroxybenzoic acid
CID 78333493

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide (CID 140608387) is 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide is Cn1nc(NC(=O)c2ccc(O)c(C(=O)NCCCN)c2)cc1-c1ccco1.
What is the InChIKey of 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is PEFGLVSAMHZRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-24-14(16-4-2-9-28-16)11-17(23-24)22-18(26)12-5-6-15(25)13(10-12)19(27)21-8-3-7-20/h2,4-6,9-11,25H,3,7-8,20H2,1H3,(H,21,27)(H,22,23,26).
What are the key properties of 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide?
3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-aminopropyl)-1-N-[5-(furan-2-yl)-1-methylpyrazol-3-yl]-4-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 140608387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).