N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

C20H21N3O3 — CID 95749136

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2cnn(CC3CC3)c2)o1
InChIInChI=1S/C20H21N3O3/c1-14-4-2-3-5-18(14)25-13-17-8-9-19(26-17)20(24)22-16-10-21-23(12-16)11-15-6-7-15/h2-5,8-10,12,15H,6-7,11,13H2,1H3,(H,22,24)
InChIKeyVJFRMUMVBCNJID-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 95749136) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID95749136
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2cnn(CC3CC3)c2)o1
InChIInChI=1S/C20H21N3O3/c1-14-4-2-3-5-18(14)25-13-17-8-9-19(26-17)20(24)22-16-10-21-23(12-16)11-15-6-7-15/h2-5,8-10,12,15H,6-7,11,13H2,1H3,(H,22,24)
InChIKeyVJFRMUMVBCNJID-UHFFFAOYSA-N
XLogP4.03
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19410192
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19338279
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 95749129
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412988
5-[(2,4-dimethylphenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60566843
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 95749144
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19412778
5-[(3,5-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346348
5-[(2-bromophenoxy)methyl]-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]furan-2-carboxamide
CID 95744203
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19401779

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 95749136) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2cnn(CC3CC3)c2)o1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is VJFRMUMVBCNJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-2-3-5-18(14)25-13-17-8-9-19(26-17)20(24)22-16-10-21-23(12-16)11-15-6-7-15/h2-5,8-10,12,15H,6-7,11,13H2,1H3,(H,22,24).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.03, 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-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 95749136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).