N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide

C18H20N6O2S — CID 70681211

IUPACN-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C18H20N6O2S/c1-27(25,26)20-11-12-2-4-14(5-3-12)18-19-9-8-16(22-18)21-17-10-15(23-24-17)13-6-7-13/h2-5,8-10,13,20H,6-7,11H2,1H3,(H2,19,21,22,23,24)
InChIKeyPAJKWVSSOAMVSC-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.54
Rot. Bonds7

About N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide

N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide (PubChem CID 70681211) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide
PubChem CID70681211
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1
InChIInChI=1S/C18H20N6O2S/c1-27(25,26)20-11-12-2-4-14(5-3-12)18-19-9-8-16(22-18)21-17-10-15(23-24-17)13-6-7-13/h2-5,8-10,13,20H,6-7,11H2,1H3,(H2,19,21,22,23,24)
InChIKeyPAJKWVSSOAMVSC-UHFFFAOYSA-N
XLogP2.54
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide (CID 70681211) is N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.
What is the InChIKey of N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide?
The InChIKey is PAJKWVSSOAMVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-27(25,26)20-11-12-2-4-14(5-3-12)18-19-9-8-16(22-18)21-17-10-15(23-24-17)13-6-7-13/h2-5,8-10,13,20H,6-7,11H2,1H3,(H2,19,21,22,23,24).
What are the key properties of N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide?
N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide has a molecular weight of 384.47 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 70681211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).