5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H13ClN4 — CID 44590041

IUPAC5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1
InChIInChI=1S/C14H13ClN4/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)18-13-7-8-16-19(13)14/h2-10,17H,1H3/t10-/m0/s1
InChIKeyBVPWVKUKBFNUNQ-JTQLQIEISA-N
MW272.74 g/mol
LogP3.56
Rot. Bonds3

About 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44590041) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44590041
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1
InChIInChI=1S/C14H13ClN4/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)18-13-7-8-16-19(13)14/h2-10,17H,1H3/t10-/m0/s1
InChIKeyBVPWVKUKBFNUNQ-JTQLQIEISA-N
XLogP3.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 44590041) is 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is C[C@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BVPWVKUKBFNUNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClN4/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)18-13-7-8-16-19(13)14/h2-10,17H,1H3/t10-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 272.74 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44590041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).