N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

C19H19N3O2 — CID 112829125

IUPACN-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC3)n[nH]2)o1
InChIInChI=1S/C19H19N3O2/c1-13-7-10-18(24-13)16-11-17(21-20-16)19(23)22(15-8-9-15)12-14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,21)
InChIKeyPQAIOVPNGZDFBE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.78
Rot. Bonds5

About N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 112829125) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID112829125
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC3)n[nH]2)o1
InChIInChI=1S/C19H19N3O2/c1-13-7-10-18(24-13)16-11-17(21-20-16)19(23)22(15-8-9-15)12-14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,21)
InChIKeyPQAIOVPNGZDFBE-UHFFFAOYSA-N
XLogP3.78
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 70772384
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 120885072
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-[(4-bromophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829085
N-[(3-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828742
N-[(2-chlorophenyl)methyl]-N-methyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112828721
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
1-[2-[methyl-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119235800
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 162646082
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97123074
N-benzyl-N-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 63999824
N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide
CID 71914873

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 112829125) is N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)C3CC3)n[nH]2)o1.
What is the InChIKey of N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is PQAIOVPNGZDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-10-18(24-13)16-11-17(21-20-16)19(23)22(15-8-9-15)12-14-5-3-2-4-6-14/h2-7,10-11,15H,8-9,12H2,1H3,(H,20,21).
What are the key properties of N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112829125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).