N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H24N6O — CID 71854351

IUPACN-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cncc(N2CCCC2)n1
InChIInChI=1S/C17H24N6O/c1-12-14(13(2)22(3)21-12)6-7-17(24)20-15-10-18-11-16(19-15)23-8-4-5-9-23/h10-11H,4-9H2,1-3H3,(H,19,20,24)
InChIKeyRQBNMAVUTBFUES-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.00
Rot. Bonds5

About N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 71854351) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID71854351
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cncc(N2CCCC2)n1
InChIInChI=1S/C17H24N6O/c1-12-14(13(2)22(3)21-12)6-7-17(24)20-15-10-18-11-16(19-15)23-8-4-5-9-23/h10-11H,4-9H2,1-3H3,(H,19,20,24)
InChIKeyRQBNMAVUTBFUES-UHFFFAOYSA-N
XLogP2.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 71854351) is N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1cncc(N2CCCC2)n1.
What is the InChIKey of N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is RQBNMAVUTBFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-14(13(2)22(3)21-12)6-7-17(24)20-15-10-18-11-16(19-15)23-8-4-5-9-23/h10-11H,4-9H2,1-3H3,(H,19,20,24).
What are the key properties of N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-ylpyrazin-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 71854351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).