3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine

C20H21N5O — CID 95149257

IUPAC3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
InChIInChI=1S/C20H21N5O/c1-3-16(13-26-2)24-14-22-18(15-8-5-4-6-9-15)19(24)17-12-23-25-11-7-10-21-20(17)25/h4-12,14,16H,3,13H2,1-2H3/t16-/m0/s1
InChIKeyKFKMMSKMTPZXTC-INIZCTEOSA-N
MW347.42 g/mol
LogP3.86
Rot. Bonds6

About 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine

3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 95149257) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID95149257
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
SMILESCC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
InChIInChI=1S/C20H21N5O/c1-3-16(13-26-2)24-14-22-18(15-8-5-4-6-9-15)19(24)17-12-23-25-11-7-10-21-20(17)25/h4-12,14,16H,3,13H2,1-2H3/t16-/m0/s1
InChIKeyKFKMMSKMTPZXTC-INIZCTEOSA-N
XLogP3.86
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50959268
3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95125081
3-[3-[(3R,4S)-4-ethoxyoxolan-3-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 133127222
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50975114
N-[4-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95130613
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol
CID 50966025
2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
CID 95136939
ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682366
hexan-2-one;3-(2-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 161173714
ethyl 5-chloro-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682355
4-methyl-5-[4-pyrazolo[1,5-a]pyrimidin-3-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 145286224

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 95149257) is 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine is CC[C@@H](COC)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12.
What is the InChIKey of 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is KFKMMSKMTPZXTC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-16(13-26-2)24-14-22-18(15-8-5-4-6-9-15)19(24)17-12-23-25-11-7-10-21-20(17)25/h4-12,14,16H,3,13H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine?
3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95149257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).