5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H22N6 — CID 95895118

IUPAC5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N[C@@H](CCn2ccnc2)c2ccccc2)n2nccc2n1
InChIInChI=1S/C20H22N6/c1-2-17-14-20(26-19(23-17)8-10-22-26)24-18(16-6-4-3-5-7-16)9-12-25-13-11-21-15-25/h3-8,10-11,13-15,18,24H,2,9,12H2,1H3/t18-/m0/s1
InChIKeyAMIRODLZRAPGRO-SFHVURJKSA-N
MW346.44 g/mol
LogP3.73
Rot. Bonds7

About 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95895118) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95895118
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N[C@@H](CCn2ccnc2)c2ccccc2)n2nccc2n1
InChIInChI=1S/C20H22N6/c1-2-17-14-20(26-19(23-17)8-10-22-26)24-18(16-6-4-3-5-7-16)9-12-25-13-11-21-15-25/h3-8,10-11,13-15,18,24H,2,9,12H2,1H3/t18-/m0/s1
InChIKeyAMIRODLZRAPGRO-SFHVURJKSA-N
XLogP3.73
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.73
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)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 95895118) is 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N[C@@H](CCn2ccnc2)c2ccccc2)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AMIRODLZRAPGRO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N6/c1-2-17-14-20(26-19(23-17)8-10-22-26)24-18(16-6-4-3-5-7-16)9-12-25-13-11-21-15-25/h3-8,10-11,13-15,18,24H,2,9,12H2,1H3/t18-/m0/s1.
What are the key properties of 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 346.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95895118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).