N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine

C18H17F3N6 — CID 166362364

IUPACN-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(-n2cc(-c3cncc(NC4CCNC4)n3)cn2)cc1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)13-1-3-15(4-2-13)27-11-12(7-24-27)16-9-23-10-17(26-16)25-14-5-6-22-8-14/h1-4,7,9-11,14,22H,5-6,8H2,(H,25,26)
InChIKeyNASLBHUJIOYGKE-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.12
Rot. Bonds4

About N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine

N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine (PubChem CID 166362364) has the molecular formula C18H17F3N6 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine
PubChem CID166362364
Molecular FormulaC18H17F3N6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC NameN-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(-n2cc(-c3cncc(NC4CCNC4)n3)cn2)cc1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)13-1-3-15(4-2-13)27-11-12(7-24-27)16-9-23-10-17(26-16)25-14-5-6-22-8-14/h1-4,7,9-11,14,22H,5-6,8H2,(H,25,26)
InChIKeyNASLBHUJIOYGKE-UHFFFAOYSA-N
XLogP3.12
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine?
The IUPAC name of N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine (CID 166362364) is N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine.
What is the SMILES notation for N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine?
The canonical SMILES for N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine is FC(F)(F)c1ccc(-n2cc(-c3cncc(NC4CCNC4)n3)cn2)cc1.
What is the InChIKey of N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine?
The InChIKey is NASLBHUJIOYGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6/c19-18(20,21)13-1-3-15(4-2-13)27-11-12(7-24-27)16-9-23-10-17(26-16)25-14-5-6-22-8-14/h1-4,7,9-11,14,22H,5-6,8H2,(H,25,26).
What are the key properties of N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine?
N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine has a molecular weight of 374.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-6-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazin-2-amine is sourced from PubChem (CID 166362364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).