N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

C18H17FN4O2 — CID 155976929

IUPACN-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESO=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC1CC1
InChIInChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)15-11-16-18(25)22(9-10-23(16)21-15)8-7-17(24)20-14-5-6-14/h1-4,9-11,14H,5-8H2,(H,20,24)
InChIKeyBNVMVTAIFBIZKG-UHFFFAOYSA-N
MW340.36 g/mol
LogP1.97
Rot. Bonds5

About N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide

N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (PubChem CID 155976929) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
PubChem CID155976929
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
SMILESO=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC1CC1
InChIInChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)15-11-16-18(25)22(9-10-23(16)21-15)8-7-17(24)20-14-5-6-14/h1-4,9-11,14H,5-8H2,(H,20,24)
InChIKeyBNVMVTAIFBIZKG-UHFFFAOYSA-N
XLogP1.97
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95183218
N-[(4-bromophenyl)methyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332363
3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(3-phenylpropyl)propanamide
CID 53332375
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide
CID 53332340
N-cyclopentyl-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795598
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 53332891
N-benzyl-3-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)propanamide
CID 53152439
2-(4-fluorophenyl)-5-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 99743921
2-(4-fluorophenyl)-5-(oxan-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 163349792
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(4-fluorophenyl)acetamide
CID 16875832
(2R)-N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-2-phenylbutanamide
CID 99759367
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide (CID 155976929) is N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is O=C(CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
The InChIKey is BNVMVTAIFBIZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-13-3-1-12(2-4-13)15-11-16-18(25)22(9-10-23(16)21-15)8-7-17(24)20-14-5-6-14/h1-4,9-11,14H,5-8H2,(H,20,24).
What are the key properties of N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide?
N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide has a molecular weight of 340.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]propanamide is sourced from PubChem (CID 155976929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).