(2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide

C14H21N5O — CID 70730488

IUPAC(2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
SMILESCC(C)c1cc(N[C@H](C(N)=O)C(C)C)n2nccc2n1
InChIInChI=1S/C14H21N5O/c1-8(2)10-7-12(18-13(9(3)4)14(15)20)19-11(17-10)5-6-16-19/h5-9,13,18H,1-4H3,(H2,15,20)/t13-/m0/s1
InChIKeyNEUAJJQSTIRZTG-ZDUSSCGKSA-N
MW275.36 g/mol
LogP1.77
Rot. Bonds5

About (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide

(2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide (PubChem CID 70730488) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
PubChem CID70730488
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide
SMILESCC(C)c1cc(N[C@H](C(N)=O)C(C)C)n2nccc2n1
InChIInChI=1S/C14H21N5O/c1-8(2)10-7-12(18-13(9(3)4)14(15)20)19-11(17-10)5-6-16-19/h5-9,13,18H,1-4H3,(H2,15,20)/t13-/m0/s1
InChIKeyNEUAJJQSTIRZTG-ZDUSSCGKSA-N
XLogP1.77
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The IUPAC name of (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide (CID 70730488) is (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The canonical SMILES for (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide is CC(C)c1cc(N[C@H](C(N)=O)C(C)C)n2nccc2n1.
What is the InChIKey of (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
The InChIKey is NEUAJJQSTIRZTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N5O/c1-8(2)10-7-12(18-13(9(3)4)14(15)20)19-11(17-10)5-6-16-19/h5-9,13,18H,1-4H3,(H2,15,20)/t13-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide?
(2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide has a molecular weight of 275.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]butanamide is sourced from PubChem (CID 70730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).