N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide

C18H15N5O2S — CID 123544305

IUPACN-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide
SMILESC#CCCCS(=O)(=O)Nc1cccc(-c2ccnc3c(C#N)cnn23)c1
InChIInChI=1S/C18H15N5O2S/c1-2-3-4-10-26(24,25)22-16-7-5-6-14(11-16)17-8-9-20-18-15(12-19)13-21-23(17)18/h1,5-9,11,13,22H,3-4,10H2
InChIKeyJLHSDGSYUFHOFP-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.42
Rot. Bonds6

About N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide

N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide (PubChem CID 123544305) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide
PubChem CID123544305
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide
SMILESC#CCCCS(=O)(=O)Nc1cccc(-c2ccnc3c(C#N)cnn23)c1
InChIInChI=1S/C18H15N5O2S/c1-2-3-4-10-26(24,25)22-16-7-5-6-14(11-16)17-8-9-20-18-15(12-19)13-21-23(17)18/h1,5-9,11,13,22H,3-4,10H2
InChIKeyJLHSDGSYUFHOFP-UHFFFAOYSA-N
XLogP2.42
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]pent-4-yne-1-sulfonamide
CID 123816002
N-[3-[3-(pyridine-4-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]but-3-yne-1-sulfonamide
CID 123841476
N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
4-methyl-N-[3-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzenesulfonamide
CID 169372224
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4774562
N-[3-[8-(4-fluorobenzoyl)imidazo[1,5-a]pyrimidin-4-yl]phenyl]butane-1-sulfonamide
CID 91304608
4-bromo-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]benzenesulfonamide
CID 11720823
7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 139234230
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
ethyl 7-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969483
N-prop-2-ynyl-N-[3-[3-(pyridine-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 11611732

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide?
The IUPAC name of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide (CID 123544305) is N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide.
What is the SMILES notation for N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide?
The canonical SMILES for N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide is C#CCCCS(=O)(=O)Nc1cccc(-c2ccnc3c(C#N)cnn23)c1.
What is the InChIKey of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide?
The InChIKey is JLHSDGSYUFHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-2-3-4-10-26(24,25)22-16-7-5-6-14(11-16)17-8-9-20-18-15(12-19)13-21-23(17)18/h1,5-9,11,13,22H,3-4,10H2.
What are the key properties of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide?
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide has a molecular weight of 365.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide is sourced from PubChem (CID 123544305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).