5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H20N6 — CID 95895210

IUPAC5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N[C@@H](C)c2cnn(-c3ccccc3)c2)n2nccc2n1
InChIInChI=1S/C19H20N6/c1-3-16-11-19(25-18(23-16)9-10-20-25)22-14(2)15-12-21-24(13-15)17-7-5-4-6-8-17/h4-14,22H,3H2,1-2H3/t14-/m0/s1
InChIKeyYWDVMZJYHOMPAO-AWEZNQCLSA-N
MW332.41 g/mol
LogP3.65
Rot. Bonds5

About 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95895210) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95895210
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N[C@@H](C)c2cnn(-c3ccccc3)c2)n2nccc2n1
InChIInChI=1S/C19H20N6/c1-3-16-11-19(25-18(23-16)9-10-20-25)22-14(2)15-12-21-24(13-15)17-7-5-4-6-8-17/h4-14,22H,3H2,1-2H3/t14-/m0/s1
InChIKeyYWDVMZJYHOMPAO-AWEZNQCLSA-N
XLogP3.65
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95895210) is 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N[C@@H](C)c2cnn(-c3ccccc3)c2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YWDVMZJYHOMPAO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N6/c1-3-16-11-19(25-18(23-16)9-10-20-25)22-14(2)15-12-21-24(13-15)17-7-5-4-6-8-17/h4-14,22H,3H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95895210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).