(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide

C20H25N5O — CID 56884809

IUPAC(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
SMILESCc1nn2c(N[C@H](CC(C)C)C(N)=O)cc(-c3ccccc3)nc2c1C
InChIInChI=1S/C20H25N5O/c1-12(2)10-17(19(21)26)22-18-11-16(15-8-6-5-7-9-15)23-20-13(3)14(4)24-25(18)20/h5-9,11-12,17,22H,10H2,1-4H3,(H2,21,26)/t17-/m1/s1
InChIKeyOLUZBVJAKDXKOU-QGZVFWFLSA-N
MW351.45 g/mol
LogP3.33
Rot. Bonds6

About (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide

(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide (PubChem CID 56884809) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
PubChem CID56884809
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
SMILESCc1nn2c(N[C@H](CC(C)C)C(N)=O)cc(-c3ccccc3)nc2c1C
InChIInChI=1S/C20H25N5O/c1-12(2)10-17(19(21)26)22-18-11-16(15-8-6-5-7-9-15)23-20-13(3)14(4)24-25(18)20/h5-9,11-12,17,22H,10H2,1-4H3,(H2,21,26)/t17-/m1/s1
InChIKeyOLUZBVJAKDXKOU-QGZVFWFLSA-N
XLogP3.33
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95868489
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70771434
2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid
CID 102354187
3-methyl-1-(2-methylpropyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 19620009
(3S)-3-phenyl-3-[(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95881164
N-(7-amino-3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 58853489
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 170092111
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
2,3,5-trimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70708814
methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
CID 70669546
methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
CID 101352935
(3R)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile
CID 95896545

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide (CID 56884809) is (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide is Cc1nn2c(N[C@H](CC(C)C)C(N)=O)cc(-c3ccccc3)nc2c1C.
What is the InChIKey of (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
The InChIKey is OLUZBVJAKDXKOU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O/c1-12(2)10-17(19(21)26)22-18-11-16(15-8-6-5-7-9-15)23-20-13(3)14(4)24-25(18)20/h5-9,11-12,17,22H,10H2,1-4H3,(H2,21,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide?
(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide has a molecular weight of 351.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide is sourced from PubChem (CID 56884809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).