N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide

C15H18N8O — CID 46990046

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCNc1ccnc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)n1
InChIInChI=1S/C15H18N8O/c1-10-6-13(22(3)21-10)20-14(24)9-23-8-11(7-18-23)15-17-5-4-12(16-2)19-15/h4-8H,9H2,1-3H3,(H,20,24)(H,16,17,19)
InChIKeyLQZCSSFFMMIVPV-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.06
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide (PubChem CID 46990046) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide
PubChem CID46990046
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCNc1ccnc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)n1
InChIInChI=1S/C15H18N8O/c1-10-6-13(22(3)21-10)20-14(24)9-23-8-11(7-18-23)15-17-5-4-12(16-2)19-15/h4-8H,9H2,1-3H3,(H,20,24)(H,16,17,19)
InChIKeyLQZCSSFFMMIVPV-UHFFFAOYSA-N
XLogP1.06
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 5419491
CID 5419491
CID 132244718
CID 132244718
CID 137449137
CID 137449137
CID 137449394
CID 137449394
CID 137449545
CID 137449545
CID 137449698
CID 137449698
CID 137450109
CID 137450109
CID 34831861
CID 34831861
CID 53532814
CID 53532814
CID 53625753
CID 53625753
CID 56780136
CID 56780136
CID 56780153
CID 56780153

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide (CID 46990046) is N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide is CNc1ccnc(-c2cnn(CC(=O)Nc3cc(C)nn3C)c2)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is LQZCSSFFMMIVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-10-6-13(22(3)21-10)20-14(24)9-23-8-11(7-18-23)15-17-5-4-12(16-2)19-15/h4-8H,9H2,1-3H3,(H,20,24)(H,16,17,19).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[4-[4-(methylamino)pyrimidin-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 46990046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).