N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C19H16N4O4 — CID 71803213

IUPACN-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C19H16N4O4/c20-18(24)13-6-1-2-7-16(13)26-10-4-3-9-21-19(25)15-12-14(22-23-15)17-8-5-11-27-17/h1-2,5-8,11-12H,9-10H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyDNCGPHJGWLZFMN-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.58
Rot. Bonds6

About N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 71803213) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID71803213
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESNC(=O)c1ccccc1OCC#CCNC(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C19H16N4O4/c20-18(24)13-6-1-2-7-16(13)26-10-4-3-9-21-19(25)15-12-14(22-23-15)17-8-5-11-27-17/h1-2,5-8,11-12H,9-10H2,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyDNCGPHJGWLZFMN-UHFFFAOYSA-N
XLogP1.58
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyltriazole-4-carboxamide
CID 71803293
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90580562
2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90580413
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 90580567
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 35555970
5-(furan-2-yl)-N-(4-naphthalen-1-yloxybut-2-ynyl)-1,2-oxazole-3-carboxamide
CID 90577990
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-2-nitrobenzamide
CID 90580480

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 71803213) is N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is NC(=O)c1ccccc1OCC#CCNC(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is DNCGPHJGWLZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c20-18(24)13-6-1-2-7-16(13)26-10-4-3-9-21-19(25)15-12-14(22-23-15)17-8-5-11-27-17/h1-2,5-8,11-12H,9-10H2,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbamoylphenoxy)but-2-ynyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71803213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).