N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C17H19ClFN5O — CID 121484259

IUPACN-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCC3)c2C1
InChIInChI=1S/C17H19ClFN5O/c18-13-9-12(3-4-14(13)19)21-17(25)23-7-8-24-16(11-23)15(10-20-24)22-5-1-2-6-22/h3-4,9-10H,1-2,5-8,11H2,(H,21,25)
InChIKeyPEYHZXMKHKBNHQ-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.32
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484259) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484259
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCC3)c2C1
InChIInChI=1S/C17H19ClFN5O/c18-13-9-12(3-4-14(13)19)21-17(25)23-7-8-24-16(11-23)15(10-20-24)22-5-1-2-6-22/h3-4,9-10H,1-2,5-8,11H2,(H,21,25)
InChIKeyPEYHZXMKHKBNHQ-UHFFFAOYSA-N
XLogP3.32
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484259) is N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCn2ncc(N3CCCC3)c2C1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is PEYHZXMKHKBNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c18-13-9-12(3-4-14(13)19)21-17(25)23-7-8-24-16(11-23)15(10-20-24)22-5-1-2-6-22/h3-4,9-10H,1-2,5-8,11H2,(H,21,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-pyrrolidin-1-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).