(2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide

C14H21N5O — CID 56894580

IUPAC(2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide
SMILESCCc1cc(N[C@H](C(N)=O)[C@@H](C)CC)n2nccc2n1
InChIInChI=1S/C14H21N5O/c1-4-9(3)13(14(15)20)18-12-8-10(5-2)17-11-6-7-16-19(11)12/h6-9,13,18H,4-5H2,1-3H3,(H2,15,20)/t9-,13-/m0/s1
InChIKeyYHWCDQMIOAKFIA-ZANVPECISA-N
MW275.36 g/mol
LogP1.60
Rot. Bonds6

About (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide

(2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide (PubChem CID 56894580) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide
PubChem CID56894580
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide
SMILESCCc1cc(N[C@H](C(N)=O)[C@@H](C)CC)n2nccc2n1
InChIInChI=1S/C14H21N5O/c1-4-9(3)13(14(15)20)18-12-8-10(5-2)17-11-6-7-16-19(11)12/h6-9,13,18H,4-5H2,1-3H3,(H2,15,20)/t9-,13-/m0/s1
InChIKeyYHWCDQMIOAKFIA-ZANVPECISA-N
XLogP1.60
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide (CID 56894580) is (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide is CCc1cc(N[C@H](C(N)=O)[C@@H](C)CC)n2nccc2n1.
What is the InChIKey of (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide?
The InChIKey is YHWCDQMIOAKFIA-ZANVPECISA-N. The full InChI is InChI=1S/C14H21N5O/c1-4-9(3)13(14(15)20)18-12-8-10(5-2)17-11-6-7-16-19(11)12/h6-9,13,18H,4-5H2,1-3H3,(H2,15,20)/t9-,13-/m0/s1.
What are the key properties of (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide?
(2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide has a molecular weight of 275.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylpentanamide is sourced from PubChem (CID 56894580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).