N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

C18H21N5O2 — CID 95749144

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(CC4CC4)c3)o2)n1
InChIInChI=1S/C18H21N5O2/c1-12-7-13(2)23(21-12)11-16-5-6-17(25-16)18(24)20-15-8-19-22(10-15)9-14-3-4-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKeyYGZZOMRWUPGBFI-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 95749144) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
PubChem CID95749144
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(CC4CC4)c3)o2)n1
InChIInChI=1S/C18H21N5O2/c1-12-7-13(2)23(21-12)11-16-5-6-17(25-16)18(24)20-15-8-19-22(10-15)9-14-3-4-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,20,24)
InChIKeyYGZZOMRWUPGBFI-UHFFFAOYSA-N
XLogP3.00
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95749136
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
N-cyclopentyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19466000
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 19465995
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19467753
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 95749129
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 4770745
sodium 5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
CID 19616340
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]furan-2-carboxamide
CID 35333649
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19466051
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19466107

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 95749144) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn(CC4CC4)c3)o2)n1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
The InChIKey is YGZZOMRWUPGBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-7-13(2)23(21-12)11-16-5-6-17(25-16)18(24)20-15-8-19-22(10-15)9-14-3-4-14/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 95749144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).