5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H21F5N8O — CID 122181632

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C19H21F5N8O/c1-31-9-13(15(30-31)18(20,21)19(22,23)24)28-17(33)10-8-26-32-7-6-14(29-16(10)32)27-12-5-3-2-4-11(12)25/h6-9,11-12H,2-5,25H2,1H3,(H,27,29)(H,28,33)/t11-,12+/m0/s1
InChIKeyWDNTUDCNGIFBAQ-NWDGAFQWSA-N
MW472.42 g/mol
LogP3.05
Rot. Bonds5

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122181632) has the molecular formula C19H21F5N8O and a molecular weight of 472.42 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122181632
Molecular FormulaC19H21F5N8O
Molecular Weight472.42 g/mol
Exact Mass472.18
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C19H21F5N8O/c1-31-9-13(15(30-31)18(20,21)19(22,23)24)28-17(33)10-8-26-32-7-6-14(29-16(10)32)27-12-5-3-2-4-11(12)25/h6-9,11-12H,2-5,25H2,1H3,(H,27,29)(H,28,33)/t11-,12+/m0/s1
InChIKeyWDNTUDCNGIFBAQ-NWDGAFQWSA-N
XLogP3.05
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122181632) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WDNTUDCNGIFBAQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H21F5N8O/c1-31-9-13(15(30-31)18(20,21)19(22,23)24)28-17(33)10-8-26-32-7-6-14(29-16(10)32)27-12-5-3-2-4-11(12)25/h6-9,11-12H,2-5,25H2,1H3,(H,27,29)(H,28,33)/t11-,12+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122181632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).