N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

C22H23N3O3 — CID 95749129

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H23N3O3/c26-22(24-18-11-23-25(13-18)12-15-4-5-15)21-9-8-20(28-21)14-27-19-7-6-16-2-1-3-17(16)10-19/h6-11,13,15H,1-5,12,14H2,(H,24,26)
InChIKeyCSOAEUXMKRCBPW-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.21
Rot. Bonds7

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (PubChem CID 95749129) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
PubChem CID95749129
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H23N3O3/c26-22(24-18-11-23-25(13-18)12-15-4-5-15)21-9-8-20(28-21)14-27-19-7-6-16-2-1-3-17(16)10-19/h6-11,13,15H,1-5,12,14H2,(H,24,26)
InChIKeyCSOAEUXMKRCBPW-UHFFFAOYSA-N
XLogP4.21
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide (CID 95749129) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is O=C(Nc1cnn(CC2CC2)c1)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
The InChIKey is CSOAEUXMKRCBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-22(24-18-11-23-25(13-18)12-15-4-5-15)21-9-8-20(28-21)14-27-19-7-6-16-2-1-3-17(16)10-19/h6-11,13,15H,1-5,12,14H2,(H,24,26).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 95749129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).