7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C16H20FN5O — CID 131669432

IUPAC7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESFc1cnc(N2Cc3ccnn3C(CCOCC3CC3)C2)nc1
InChIInChI=1S/C16H20FN5O/c17-13-7-18-16(19-8-13)21-9-14-3-5-20-22(14)15(10-21)4-6-23-11-12-1-2-12/h3,5,7-8,12,15H,1-2,4,6,9-11H2
InChIKeyFHEHATYAJNWFNU-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.19
Rot. Bonds6

About 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 131669432) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID131669432
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESFc1cnc(N2Cc3ccnn3C(CCOCC3CC3)C2)nc1
InChIInChI=1S/C16H20FN5O/c17-13-7-18-16(19-8-13)21-9-14-3-5-20-22(14)15(10-21)4-6-23-11-12-1-2-12/h3,5,7-8,12,15H,1-2,4,6,9-11H2
InChIKeyFHEHATYAJNWFNU-UHFFFAOYSA-N
XLogP2.19
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1-ethyl-1H-pyrazol-5-yl)-5-fluoropyrimidin-4-yl]morpholine
CID 121496357
5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 175970008
5-Methyl-7-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 56025555
4-[5-fluoro-2-(1-propyl-1H-pyrazol-5-yl)pyrimidin-4-yl]morpholine
CID 121512840
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124230495
(7R)-7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124230496
2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine
CID 133140766
2-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133141297
5-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133142691
7-[4-(Oxolan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133335912
2-({1-[2-(1H-pyrazol-1-yl)ethyl]piperidin-4-yl}oxy)-4-(trifluoromethyl)pyrimidine
CID 145869017
5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155824218

Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 131669432) is 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Fc1cnc(N2Cc3ccnn3C(CCOCC3CC3)C2)nc1.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is FHEHATYAJNWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-13-7-18-16(19-8-13)21-9-14-3-5-20-22(14)15(10-21)4-6-23-11-12-1-2-12/h3,5,7-8,12,15H,1-2,4,6,9-11H2.
What are the key properties of 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 317.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 131669432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).