N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide

C17H21N5O3S — CID 131897034

IUPACN-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C17H21N5O3S/c1-11-14(12(2)21(3)20-11)10-22(13-4-5-13)26(23,24)17-7-6-16(25-17)15-8-9-18-19-15/h6-9,13H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyFXQNYUVGHMRKSV-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.37
Rot. Bonds6

About N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide

N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide (PubChem CID 131897034) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide
PubChem CID131897034
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C17H21N5O3S/c1-11-14(12(2)21(3)20-11)10-22(13-4-5-13)26(23,24)17-7-6-16(25-17)15-8-9-18-19-15/h6-9,13H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyFXQNYUVGHMRKSV-UHFFFAOYSA-N
XLogP2.37
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide?
The IUPAC name of N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide (CID 131897034) is N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide is Cc1nn(C)c(C)c1CN(C1CC1)S(=O)(=O)c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide?
The InChIKey is FXQNYUVGHMRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11-14(12(2)21(3)20-11)10-22(13-4-5-13)26(23,24)17-7-6-16(25-17)15-8-9-18-19-15/h6-9,13H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide?
N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-2-sulfonamide is sourced from PubChem (CID 131897034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).