N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide

C18H22N4O3 — CID 167856175

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N(C)C(C)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H22N4O3/c1-11-9-20-21-16(11)18(24)22(3)12(2)10-19-17(23)14-4-5-15-13(8-14)6-7-25-15/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyZVADNTLBFWGYJY-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.54
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide

N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide (PubChem CID 167856175) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide
PubChem CID167856175
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide
SMILESCc1cn[nH]c1C(=O)N(C)C(C)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H22N4O3/c1-11-9-20-21-16(11)18(24)22(3)12(2)10-19-17(23)14-4-5-15-13(8-14)6-7-25-15/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyZVADNTLBFWGYJY-UHFFFAOYSA-N
XLogP1.54
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide (CID 167856175) is N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide is Cc1cn[nH]c1C(=O)N(C)C(C)CNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZVADNTLBFWGYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-9-20-21-16(11)18(24)22(3)12(2)10-19-17(23)14-4-5-15-13(8-14)6-7-25-15/h4-5,8-9,12H,6-7,10H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide?
N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-carbonylamino)propan-2-yl]-N,4-dimethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167856175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).