N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide

C21H31N7O — CID 127282369

IUPACN-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
SMILESCc1cc(C)n(-c2cncc(N3CCN(C(C)C(=O)NC4CCCC4)CC3)n2)n1
InChIInChI=1S/C21H31N7O/c1-15-12-16(2)28(25-15)20-14-22-13-19(24-20)27-10-8-26(9-11-27)17(3)21(29)23-18-6-4-5-7-18/h12-14,17-18H,4-11H2,1-3H3,(H,23,29)
InChIKeyILLGHDGZQJECOD-UHFFFAOYSA-N
MW397.53 g/mol
LogP1.85
Rot. Bonds5

About N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide (PubChem CID 127282369) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
PubChem CID127282369
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC NameN-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
SMILESCc1cc(C)n(-c2cncc(N3CCN(C(C)C(=O)NC4CCCC4)CC3)n2)n1
InChIInChI=1S/C21H31N7O/c1-15-12-16(2)28(25-15)20-14-22-13-19(24-20)27-10-8-26(9-11-27)17(3)21(29)23-18-6-4-5-7-18/h12-14,17-18H,4-11H2,1-3H3,(H,23,29)
InChIKeyILLGHDGZQJECOD-UHFFFAOYSA-N
XLogP1.85
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide (CID 127282369) is N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide is Cc1cc(C)n(-c2cncc(N3CCN(C(C)C(=O)NC4CCCC4)CC3)n2)n1.
What is the InChIKey of N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide?
The InChIKey is ILLGHDGZQJECOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O/c1-15-12-16(2)28(25-15)20-14-22-13-19(24-20)27-10-8-26(9-11-27)17(3)21(29)23-18-6-4-5-7-18/h12-14,17-18H,4-11H2,1-3H3,(H,23,29).
What are the key properties of N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide has a molecular weight of 397.53 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide is sourced from PubChem (CID 127282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).